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Thermal and spectral properties of alkali metal complexes of Vitamin K3 analogue Phthiocol Laxmi Kathawate1, Rishikesh Patil1, Ravi Yadav1, Sunita Salunke-Gawali1*
1Department of Chemistry, Savitribai Phule Pune University, Pune- 411007, India
Supplementary material
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Figure legends
Fig.S1 FT-IR spectrum of phthiocol and Phth-1 to Phth-5
Fig.S2 1H NMR spectrum of Phth-1 to Phth-5 in DMSO-d6
Fig.S3 DSC (Heating) curve of phthiocol, Phth-1 to Phth-3 and Phth-5
Fig.S4 GC-MS spectra of Phth-1 to Phth-5
Fig.S5 Polycrystalline powder, X-band EPR spectra of Phth-1 at 133 K
Fig.S6 Polycrystalline powder, X- band EPR spectra of Phth-2 at 133 K
Fig.S7 Polycrystalline powder, X- band EPR spectra of Phth-5 at 298 K
Fig.S8 LC-MS Chromatogram of phthiocol
Table legends
Table S1 Elemental analysis data for Phth-4
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Phth
Phth-1
Phth-2
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Fig. S1 FT-IR spectrum of phthiocol and Phth-1 to Phth-5
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Phth-3
Phth-4
Phth-5
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Fig. S2 1H NMR spectrum of Phth-1 to Phth-5 in DMSO-d6
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Hea
t flo
w /
mW
Exo
En
do
Hea
t flo
w /
mW
Exo
En
do
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Fig. S3 DSC (Heating) curve of phthiocol, Phth-1 to Phth-3 and Phth-57
Hea
t flo
w /
mW
Exo
En
do
Hea
t flo
w /
mW
Exo
En
do
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Phth-1
Phth-2
Phth-3
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Fig.S4 GC-MS spectra of Phth-1 to Phth-5
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Phth-5
Phth-4
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Field Set: 2000 GScan Range: 4000 GModulation Amplitude: 2 GMicrowave Power: 10 mW
Half field check
3200 3400 3600 3800 4000 4200 4400 4600 4800 5000 (G)
Field Set: 4000 G, Scan Range: 2000 GTime constant: 0.63 sec, Scan Time: 4 minModulation Amplitude: 2 GModulation Frequency: 100 KHzReceiver Gain: 1.6 103 10Microwave Power: 10 mWTemperature: 133 KMicrowave frequency: 9.1 GHzSample Code: Phth-1
Field Set: 3000 G, Scan Range: 4000 GTime constant: 0.63 sec, Scan Time: 4 minModulation Amplitude: 1 GModulation Frequency: 100 KHzReceiver Gain: 1.6 103 10Microwave Power: 5 mWTemperature: 133 KMicrowave frequency: 9.1 GHzSample Code: Phth-2
Half field checkField Set: 2000 G, Scan Range: 4000 G
Fig.S5 Polycrystalline powder, X-band EPR spectra of Phth-1 at 133 K
Fig.S6 Polycrystalline powder, X- band EPR spectra of Phth-2 at 133 K
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Field Set: 3000 G, Scan Range: 2000 G, Time constant: 0.63 sec, Scan Time: 4 minModulation Amplitude: 1 G, Modulation Frequency: 100 KHz, Receiver Gain: 5 102 10Microwave Power: 5 mW, Temperature: 298 K, Microwave frequency: 9.1 GHz, Sample Code: Phth-5
Receiver Gain: 10 102 10
Half field checkField Set: 2000 G, Scan Range: 4000 G
Fig.S7 Polycrystalline powder, X- band EPR spectra of Phth-5 at 298 K
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Fig.S8 LC-MS Chromatogram of phthiocol
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Table S1 Elemental analysis data for Phth-4
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Comp Name
Composition Elemental analysis found / Calc.%M. wt. C% H%
Phth-4 C11H11O5K2 301.40 43.84/43.83 03.68/03.67C11H11O5K2 301.40 43.84/43.83 02.87/03.67