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(Benzothiazol-2-ylsulfanyl)acetic acid, 2-(2,4-dimethylphenyl)-2-oxoethyl ester
SpectraBase Compound ID LebEJ7HkP3s
InChI InChI=1S/C19H17NO3S2/c1-12-7-8-14(13(2)9-12)16(21)10-23-18(22)11-24-19-20-15-5-3-4-6-17(15)25-19/h3-9H,10-11H2,1-2H3
InChIKey VVHDVTPFGBLWEC-UHFFFAOYSA-N
Mol Weight 371.47 g/mol
Molecular Formula C19H17NO3S2
Exact Mass 371.064986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOW8hPr0uwn
Name (Benzothiazol-2-ylsulfanyl)acetic acid, 2-(2,4-dimethylphenyl)-2-oxoethyl ester
Alternate Name(s) 2-(2,4-Dimethylphenyl)-2-oxoethyl (1,3-benzothiazol-2-ylsulfanyl)acetate 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate
CAS Registry Number 10-62-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17NO3S2
InChI InChI=1S/C19H17NO3S2/c1-12-7-8-14(13(2)9-12)16(21)10-23-18(22)11-24-19-20-15-5-3-4-6-17(15)25-19/h3-9H,10-11H2,1-2H3
InChIKey VVHDVTPFGBLWEC-UHFFFAOYSA-N
Molecular Weight 371.469 g/mol
SMILES c1(nc2ccccc2s1)SCC(OCC(c1c(cc(cc1)C)C)=O)=O
SPLASH splash10-001i-3900000000-3fd77ac23fe297abc412
Wiley ID 1462310