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4-(2-Mercapto-4-phenyl-imidazol-1-yl)-benzoic acid methyl ester

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

4-(2-Mercapto-4-phenyl-imidazol-1-yl)-benzoic acid methyl ester
SpectraBase Compound ID 7z5GQGMzgCj
InChI InChI=1S/C17H14N2O2S/c1-21-16(20)13-7-9-14(10-8-13)19-11-15(18-17(19)22)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,22)
InChIKey FYYOWOUOOSHKSB-UHFFFAOYSA-N
Mol Weight 310.37 g/mol
Molecular Formula C17H14N2O2S
Exact Mass 310.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52pcp49X8y8
Name 4-(2-Mercapto-4-phenyl-imidazol-1-yl)-benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N2O2S
InChI InChI=1S/C17H14N2O2S/c1-21-16(20)13-7-9-14(10-8-13)19-11-15(18-17(19)22)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,22)
InChIKey FYYOWOUOOSHKSB-UHFFFAOYSA-N
Molecular Weight 310.371 g/mol
SMILES Sc1[n](cc(n1)-c1ccccc1)-c1ccc(C(=O)OC)cc1
SPLASH splash10-08fr-3629000000-0a3000b63b41eb09e189
Synonyms 4-(4-phenyl-2-thioxo-4-imidazolin-1-yl)benzoic acid methyl ester 4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)benzoic acid methyl ester Methyl 4-(4-phenyl-2-sulfanyl-1H-imidazol-1-yl)benzoate Methyl 4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)benzoate Methyl 4-(5-phenyl-2-thioxo-1H-imidazol-3-yl)benzoate
Wiley ID 1437590