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

View entire compound with spectra: 1 MS (GC)

5-Phenyl-2-(p-tolyl)isothiazol-3(2H)-one
SpectraBase Compound ID L4ubiLKM8yX
InChI InChI=1S/C16H13NOS/c1-12-7-9-14(10-8-12)17-16(18)11-15(19-17)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey CFYQFBCFCPWAFE-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 7sCdn8F5Har
Name 5-Phenyl-2-(p-tolyl)isothiazol-3(2H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NOS
InChI InChI=1S/C16H13NOS/c1-12-7-9-14(10-8-12)17-16(18)11-15(19-17)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey CFYQFBCFCPWAFE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201801579
Molecular Weight 267.346 g/mol
SMILES C1(N(SC(=C1)c1ccccc1)c1ccc(cc1)C)=O
SPLASH splash10-00or-0970000000-a1d33e1d88f779dabf59
Source of Spectrum ASC-361-SM8-2k
Wiley ID 1813997