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4-NITRO-5-PHENYLTHIOIMIDAZOLE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-NITRO-5-PHENYLTHIOIMIDAZOLE
SpectraBase Compound ID DiGtuQ830Oo
InChI InChI=1S/C9H7N3O2S/c13-12(14)8-9(11-6-10-8)15-7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChIKey MUKWJFZXNNJELB-UHFFFAOYSA-N
Mol Weight 221.23 g/mol
Molecular Formula C9H7N3O2S
Exact Mass 221.025898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2R6tAISTQM2
Name 1H-Imidazole, 4-nitro-5-(phenylthio)-
Alternate Name(s) 4-Nitro-1H-imidazol-5-yl phenyl sulfide 4-Nitro-5-(phenylsulfanyl)-1H-imidazole 4-Nitro-5-(phenylthio)imidazole
CAS Registry Number 113121-60-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7N3O2S
InChI InChI=1S/C9H7N3O2S/c13-12(14)8-9(11-6-10-8)15-7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChIKey MUKWJFZXNNJELB-UHFFFAOYSA-N
Molecular Weight 221.234 g/mol
SMILES [nH]1cnc(c1Sc1ccccc1)N(=O)=O
SPLASH splash10-00fr-0790000000-9f8c9f4d9fca362f48a9
Source of Spectrum B-40-1421-0
Wiley ID 1221041