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5-Methylisothiazole

View entire compound with spectra: 8 NMR, 3 FTIR, and 1 MS (GC)

5-Methylisothiazole
SpectraBase Compound ID 57tRIv9zNwb
InChI InChI=1S/C4H5NS/c1-4-2-3-5-6-4/h2-3H,1H3
InChIKey LBBKWEDRPDGXPM-UHFFFAOYSA-N
Mol Weight 99.15 g/mol
Molecular Formula C4H5NS
Exact Mass 99.01427 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DsgRHXgzfI6
Name 5-Methylisothiazole
Catalog Number 305456
CAS Registry Number 693-97-0
Classification 5-membered aromatic heterocycles
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H5NS
InChI InChI=1S/C4H5NS/c1-4-2-3-5-6-4/h2-3H,1H3
InChIKey LBBKWEDRPDGXPM-UHFFFAOYSA-N
Purity 98%
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Vapor Phase
Wiley ID SIAL_FTIR_1_6346