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

View entire compound with spectra: 1 MS (GC)

5-Phenyl-2-(o-tolyl)isothiazol-3(2H)-one
SpectraBase Compound ID Iogsr74EiDK
InChI InChI=1S/C16H13NOS/c1-12-7-5-6-10-14(12)17-16(18)11-15(19-17)13-8-3-2-4-9-13/h2-11H,1H3
InChIKey PAGGJEHRIAFXKY-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 Hv5xuD7TEiJ
Name 5-Phenyl-2-(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)17-16(18)11-15(19-17)13-8-3-2-4-9-13/h2-11H,1H3
InChIKey PAGGJEHRIAFXKY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201801579
Molecular Weight 267.346 g/mol
SMILES C1(N(SC(=C1)c1ccccc1)c1ccccc1C)=O
SPLASH splash10-0udi-0290000000-b63c1365ca3307b8038a
Source of Spectrum ASC-361-SM11-2r
Wiley ID 1814004