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2-[p-(m-DITHIAN-2-YL)STYRYL]-5-NITRO-1-VINYLIMIDAZOLE, HEMIHYDRATE

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2-[p-(m-DITHIAN-2-YL)STYRYL]-5-NITRO-1-VINYLIMIDAZOLE, HEMIHYDRATE
SpectraBase Compound ID 5tH5CNbfnwS
InChI InChI=1S/2C17H17N3O2S2.H2O/c2*1-2-19-15(18-12-16(19)20(21)22)9-6-13-4-7-14(8-5-13)17-23-10-3-11-24-17;/h2*2,4-9,12,17H,1,3,10-11H2;1H2
InChIKey LJLAYWBWFPNCBY-UHFFFAOYSA-N
Mol Weight 368.47 g/mol
Molecular Formula C17H17N3O2S2·½H2O
Exact Mass 368.081501 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LZt5suwTBQu
Name 2-[p-(m-DITHIAN-2-YL)STYRYL]-5-NITRO-1-VINYLIMIDAZOLE, HEMIHYDRATE
Source of Sample W. Ross & W. Jamieson, Lilly Research Centre Ltd., Windlesham, Surrey, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H36N6O5S4
InChI InChI=1S/2C17H17N3O2S2.H2O/c2*1-2-19-15(18-12-16(19)20(21)22)9-6-13-4-7-14(8-5-13)17-23-10-3-11-24-17;/h2*2,4-9,12,17H,1,3,10-11H2;1H2
InChIKey LJLAYWBWFPNCBY-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 18, 158(1975)
Melting Point 221-222C
Molecular Weight 736.939026
Synonyms IMIDAZOLE, 2-/P-/M-DITHIAN-2-YL/- STYRYL/-5-NITRO-1-VINYL-, HEMIHYDRATE
Technique KBr WAFER