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

View entire compound with spectra: 1 MS (GC)

2-Butyl-5-phenylisothiazol-3(2H)-one
SpectraBase Compound ID HlxmP8A3Oxj
InChI InChI=1S/C13H15NOS/c1-2-3-9-14-13(15)10-12(16-14)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3
InChIKey LNTFBJGCUNQMQF-UHFFFAOYSA-N
Mol Weight 233.33 g/mol
Molecular Formula C13H15NOS
Exact Mass 233.087435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gmPPDDvwRW
Name 2-Butyl-5-phenylisothiazol-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NOS
InChI InChI=1S/C13H15NOS/c1-2-3-9-14-13(15)10-12(16-14)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3
InChIKey LNTFBJGCUNQMQF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201801579
Molecular Weight 233.329 g/mol
SMILES C1(N(SC(=C1)c1ccccc1)CCCC)=O
SPLASH splash10-004i-0910000000-0d85c45b0296f9b859e0
Source of Spectrum ASC-361-SM13-2y
Wiley ID 1814010