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Benzothiazole, 2-(methylthio)-

View entire compound with spectra: 15 NMR, 3 FTIR, 1 Raman, and 15 MS (GC)

Benzothiazole, 2-(methylthio)-
SpectraBase Compound ID 9FyVKO7cg2H
InChI InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3
InChIKey UTBVIMLZIRIFFR-UHFFFAOYSA-N
Mol Weight 181.27 g/mol
Molecular Formula C8H7NS2
Exact Mass 181.001992 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9u3fQPpl3if
Name 2-(Methylthio)benzothiazole
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 168653
CAS Registry Number 615-22-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NS2
InChI InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3
InChIKey UTBVIMLZIRIFFR-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_002061