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4-acetamido-3-phenyl-1,2-thiazole-5-carboxylic acid

View entire compound with spectra: 1 MS (GC)

4-acetamido-3-phenyl-1,2-thiazole-5-carboxylic acid
SpectraBase Compound ID KMLRO3qSKnR
InChI InChI=1S/C12H10N2O3S/c1-7(15)13-10-9(8-5-3-2-4-6-8)14-18-11(10)12(16)17/h2-6H,1H3,(H,13,15)(H,16,17)
InChIKey PRGGSOFIOHBHAH-UHFFFAOYSA-N
Mol Weight 262.28 g/mol
Molecular Formula C12H10N2O3S
Exact Mass 262.041213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G651G7cK6Ec
Name 4-acetamido-3-phenyl-1,2-thiazole-5-carboxylic acid
Alternate Name(s) 4-acetamido-3-phenyl-5-isothiazolecarboxylic acid 4-acetamido-3-phenyl-isothiazole-5-carboxylic acid
CAS Registry Number 105689-21-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2O3S
InChI InChI=1S/C12H10N2O3S/c1-7(15)13-10-9(8-5-3-2-4-6-8)14-18-11(10)12(16)17/h2-6H,1H3,(H,13,15)(H,16,17)
InChIKey PRGGSOFIOHBHAH-UHFFFAOYSA-N
Molecular Weight 262.283 g/mol
SMILES OC(c1c(c(ns1)-c1ccccc1)NC(=O)C)=O
SPLASH splash10-00di-0090000000-e1e6a5295c4b79bc7d2b
Source of Spectrum Y-22-1500-8
Wiley ID 1265413