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4-(1-methyl-2-nitroimidazol-5-yl)-3-buten-2-one, thiosemicarbazone
SpectraBase Compound ID 1v45FfxcSOd
InChI InChI=1S/C9H12N6O2S/c1-6(12-13-8(10)18)3-4-7-5-11-9(14(7)2)15(16)17/h3-5H,1-2H3,(H3,10,13,18)
InChIKey MGUOANAPQHUDLM-UHFFFAOYSA-N
Mol Weight 268.3 g/mol
Molecular Formula C9H12N6O2S
Exact Mass 268.074245 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID GEQKvcLGji1
Name 4-(1-METHYL-2-NITROIMIDAZOL-5-YL)-3-BUTEN-2-ONE, THIOSEMICARBAZONE
Source of Sample B. CAVALLERI, LEPETIT S.P.A., MILAN, ITALY
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N6O2S
InChI InChI=1S/C9H12N6O2S/c1-6(12-13-8(10)18)3-4-7-5-11-9(14(7)2)15(16)17/h3-5H,1-2H3,(H3,10,13,18)
InChIKey MGUOANAPQHUDLM-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 20, 656(1977) Abstract-Chemical Abstracts= 86, 165059(1977)
Melting Point 248C
Molecular Weight 268.295013
Synonyms 3-BUTEN-2-ONE, 4-/1-METHYL-2-NITRO- IMIDAZOL-5-YL/-, THIOSEMICARBAZONE
Technique KBr WAFER