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Ethyl [2-(benzylsulfanyl)-4-(4-nitrophenyl)-1H-imidazol-1-yl]acetate
SpectraBase Compound ID GBr4F082FKp
InChI InChI=1S/C20H19N3O4S/c1-2-27-19(24)13-22-12-18(16-8-10-17(11-9-16)23(25)26)21-20(22)28-14-15-6-4-3-5-7-15/h3-12H,2,13-14H2,1H3
InChIKey FVFTYPFLWPZOMJ-UHFFFAOYSA-N
Mol Weight 397.45 g/mol
Molecular Formula C20H19N3O4S
Exact Mass 397.109627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EqzcZ5Mi7bP
Name Ethyl [2-(benzylsulfanyl)-4-(4-nitrophenyl)-1H-imidazol-1-yl]acetate
CAS Registry Number 351064-50-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19N3O4S
InChI InChI=1S/C20H19N3O4S/c1-2-27-19(24)13-22-12-18(16-8-10-17(11-9-16)23(25)26)21-20(22)28-14-15-6-4-3-5-7-15/h3-12H,2,13-14H2,1H3
InChIKey FVFTYPFLWPZOMJ-UHFFFAOYSA-N
Molecular Weight 397.449 g/mol
SMILES c1(nc(-c2ccc(N(=O)=O)cc2)c[n]1CC(=O)OCC)SCc1ccccc1
SPLASH splash10-0006-9206000000-c2dc1b339ace17970fee
Source of Spectrum AD-0-2532-0
Synonyms 2-[2-(benzylthio)-4-(4-nitrophenyl)imidazol-1-yl]acetic acid ethyl ester 2-[4-(4-nitrophenyl)-2-(phenylmethylthio)-1-imidazolyl]acetic acid ethyl ester Acetic acid, 2-[2-benzylthio-4-(4-nitrophenyl)-1-imidazolyl-, ethyl ester Ethyl 2-[2-benzylsulfanyl-4-(4-nitrophenyl)imidazol-1-yl]acetate Ethyl 2-[4-(4-nitrophenyl)-2-(phenylmethylsulfanyl)imidazol-1-yl]ethanoate
Wiley ID 1432744