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benzoic acid, 4-[[[(1-methyl-1H-imidazol-2-yl)thio]acetyl]amino]-,methyl ester
SpectraBase Compound ID GlTDohhhWK
InChI InChI=1S/C14H15N3O3S/c1-17-8-7-15-14(17)21-9-12(18)16-11-5-3-10(4-6-11)13(19)20-2/h3-8H,9H2,1-2H3,(H,16,18)
InChIKey CPLHOEQQKOZHLN-UHFFFAOYSA-N
Mol Weight 305.35 g/mol
Molecular Formula C14H15N3O3S
Exact Mass 305.083413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DvU1LlDRRGz
Name Benzoic acid, 4-[(1-methyl-2-imidazolylthio)acetyl]-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15N3O3S
InChI InChI=1S/C14H15N3O3S/c1-17-8-7-15-14(17)21-9-12(18)16-11-5-3-10(4-6-11)13(19)20-2/h3-8H,9H2,1-2H3,(H,16,18)
InChIKey CPLHOEQQKOZHLN-UHFFFAOYSA-N
Molecular Weight 305.352 g/mol
SMILES N(C(CSc1[n](ccn1)C)=O)c1ccc(C(=O)OC)cc1
SPLASH splash10-004i-9800000000-7ffc7dfce350e6b79f2c
Synonyms 4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester 4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Methyl 4-(([(1-methyl-1H-imidazol-2-yl)sulfanyl]acetyl)amino)benzoate Methyl 4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Methyl 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate
Wiley ID 1457325