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1-METHYL-4-NITRO-5-PHENYLTHIOIMIDAZOLE
SpectraBase Compound ID DlO3pXpcCTd
InChI InChI=1S/C10H9N3O2S/c1-12-7-11-9(13(14)15)10(12)16-8-5-3-2-4-6-8/h2-7H,1H3
InChIKey JSTDAVYXINFTFX-UHFFFAOYSA-N
Mol Weight 235.26 g/mol
Molecular Formula C10H9N3O2S
Exact Mass 235.041548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BlhN0JGsOp
Name 1-Methyl-4-nitro-5-(phenylsulfanyl)-1H-imidazole
CAS Registry Number 80812-44-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9N3O2S
InChI InChI=1S/C10H9N3O2S/c1-12-7-11-9(13(14)15)10(12)16-8-5-3-2-4-6-8/h2-7H,1H3
InChIKey JSTDAVYXINFTFX-UHFFFAOYSA-N
Molecular Weight 235.261 g/mol
SMILES C[n]1c(c(N(=O)=O)nc1)Sc1ccccc1
SPLASH splash10-000i-0190000000-a09a2a33286ccc9b46a0
Source of Spectrum B-40-1421-0
Synonyms 1-Methyl-4-nitro-5-(phenylthio)imidazole 1-Methyl-4-nitro-5-phenylsulfanyl-imidazole
Wiley ID 1236870