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2-Benzyl-5-phenylisothiazol-3(2H)-one

View entire compound with spectra: 1 MS (GC)

2-Benzyl-5-phenylisothiazol-3(2H)-one
SpectraBase Compound ID IUEcSy7KU7G
InChI InChI=1S/C16H13NOS/c18-16-11-15(14-9-5-2-6-10-14)19-17(16)12-13-7-3-1-4-8-13/h1-11H,12H2
InChIKey AXWHAHOMPNNEHI-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 80cOROYI9b1
Name 2-Benzyl-5-phenylisothiazol-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NOS
InChI InChI=1S/C16H13NOS/c18-16-11-15(14-9-5-2-6-10-14)19-17(16)12-13-7-3-1-4-8-13/h1-11H,12H2
InChIKey AXWHAHOMPNNEHI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201801579
Molecular Weight 267.346 g/mol
SMILES C1(N(SC(=C1)c1ccccc1)Cc1ccccc1)=O
SPLASH splash10-0006-9330000000-6d87956ec26e2ed0177f
Source of Spectrum ASC-361-SM13-2x
Wiley ID 1814009