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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7cKtLtyl8W5
Name 4-Benzylisothiazole
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 305448
CAS Registry Number 36412-26-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 1H
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_006006