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Imidazole, 1-benzyl-2-(4-nitrophenyl)thio-
SpectraBase Compound ID JoUBftinn0u
InChI InChI=1S/C16H13N3O2S/c20-19(21)14-6-8-15(9-7-14)22-16-17-10-11-18(16)12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKey CBINBXQSHWRCHQ-UHFFFAOYSA-N
Mol Weight 311.36 g/mol
Molecular Formula C16H13N3O2S
Exact Mass 311.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JwnWxhy5J2U
Name 1-Benzyl-2-[(4-nitrophenyl)sulfanyl]-1H-imidazole
CAS Registry Number 133303-74-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O2S
InChI InChI=1S/C16H13N3O2S/c20-19(21)14-6-8-15(9-7-14)22-16-17-10-11-18(16)12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKey CBINBXQSHWRCHQ-UHFFFAOYSA-N
Molecular Weight 311.359 g/mol
SMILES c1([n](ccn1)Cc1ccccc1)Sc1ccc(N(=O)=O)cc1
SPLASH splash10-0006-9100000000-03176dcf95f8fddb81c0
Source of Spectrum AD-0-2532-0
Synonyms 1-Benzyl-2-(4-nitrophenyl)sulfanyl-imidazole 1-Benzyl-2-[(4-nitrophenyl)thio]imidazole 2-(4-nitrophenyl)sulfanyl-1-(phenylmethyl)imidazole 2-[(4-nitrophenyl)thio]-1-(phenylmethyl)imidazole Imidazole, 1-benzyl-2-(4-nitrophenyl)thio-
Wiley ID 1420944