Benzoic acid, 4-[(1-methyl-2-imidazolylthio)acetyl]-, 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 Google Search
Mol Weight	305.35 g/mol
Molecular Formula	C14H15N3O3S
Exact Mass	305.083413 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	EsqnZtcln4c
Name	Benzoic acid, 4-[(1-methyl-2-imidazolylthio)acetyl]-, methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	305.083412526 u
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	C=1(N(C)C=CN1)SCC(NC1=CC=C(C(OC)=O)C=C1)=O