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Benzyl (1,3-benzothiazol-2-ylsulfanyl)acetate
SpectraBase Compound ID IJtx0qTMtdA
InChI InChI=1S/C16H13NO2S2/c18-15(19-10-12-6-2-1-3-7-12)11-20-16-17-13-8-4-5-9-14(13)21-16/h1-9H,10-11H2
InChIKey NNDNAFSJCMFDOF-UHFFFAOYSA-N
Mol Weight 315.41 g/mol
Molecular Formula C16H13NO2S2
Exact Mass 315.038771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B42A1cd54PQ
Name Benzyl (1,3-benzothiazol-2-ylsulfanyl)acetate
Alternate Name(s) (phenylmethyl) 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate 2-(1,3-benzothiazol-2-ylthio)acetic acid (phenylmethyl) ester 2-(1,3-benzothiazol-2-ylthio)acetic acid benzyl ester Acetic acid, 2-(2-benzothiazolyl)thio-, benzyl ester benzyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
CAS Registry Number 349445-18-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO2S2
InChI InChI=1S/C16H13NO2S2/c18-15(19-10-12-6-2-1-3-7-12)11-20-16-17-13-8-4-5-9-14(13)21-16/h1-9H,10-11H2
InChIKey NNDNAFSJCMFDOF-UHFFFAOYSA-N
Molecular Weight 315.405 g/mol
SMILES c1(nc2ccccc2s1)SCC(=O)OCc1ccccc1
SPLASH splash10-014l-8902000000-6e8a93c68d22698dcb8b
Source of Spectrum AD-0-2532-0
Wiley ID 1424358