For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-Benzylisothiazole

View entire compound with spectra: 3 NMR, 3 FTIR, and 1 MS (GC)

4-Benzylisothiazole
SpectraBase Compound ID L9sKoYkXFH9
InChI InChI=1S/C10H9NS/c1-2-4-9(5-3-1)6-10-7-11-12-8-10/h1-5,7-8H,6H2
InChIKey YEPBKWKFFVWMDX-UHFFFAOYSA-N
Mol Weight 175.25 g/mol
Molecular Formula C10H9NS
Exact Mass 175.04557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID NLxGqPO4dy
Name 4-(Phenylmethyl)-1,2-thiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NS
InChI InChI=1S/C10H9NS/c1-2-4-9(5-3-1)6-10-7-11-12-8-10/h1-5,7-8H,6H2
InChIKey YEPBKWKFFVWMDX-UHFFFAOYSA-N
Molecular Weight 175.249 g/mol
SMILES c1ccc(cc1)Cc1cnsc1
SPLASH splash10-00vj-0900000000-e6b6ecc2a53f74c6ed85
Source of Spectrum J-63-5602-2
Synonyms 4-(Phenylmethyl)isothiazole 4-Benzyl-1,2-thiazole 4-Benzylisothiazole
Wiley ID 1171515