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2-Phenyl-5-(o-tolyl)isothiazol-3(2H)-one

View entire compound with spectra: 1 MS (GC)

2-Phenyl-5-(o-tolyl)isothiazol-3(2H)-one
SpectraBase Compound ID 65epE9ctwd
InChI InChI=1S/C16H13NOS/c1-12-7-5-6-10-14(12)15-11-16(18)17(19-15)13-8-3-2-4-9-13/h2-11H,1H3
InChIKey QOOUIQRLYMWVAN-UHFFFAOYSA-N
Mol Weight 267.35 g/mol
Molecular Formula C16H13NOS
Exact Mass 267.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBhTCzP31yi
Name 2-Phenyl-5-(o-tolyl)isothiazol-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NOS
InChI InChI=1S/C16H13NOS/c1-12-7-5-6-10-14(12)15-11-16(18)17(19-15)13-8-3-2-4-9-13/h2-11H,1H3
InChIKey QOOUIQRLYMWVAN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201801579
Molecular Weight 267.346 g/mol
SMILES C1(N(SC(=C1)c1ccccc1C)c1ccccc1)=O
SPLASH splash10-00mo-0950000000-ea6c86c21275e9a1c1e7
Source of Spectrum ASC-361-SM7-2h
Wiley ID 1813994