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(BENZOTRIAZOL-1-YL)-(PHENYLTHIO)-METHANE

View entire compound with spectra: 3 NMR, 2 FTIR, and 1 MS (GC)

(BENZOTRIAZOL-1-YL)-(PHENYLTHIO)-METHANE
SpectraBase Compound ID L0kGUCZMgu7
InChI InChI=1S/C13H11N3S/c1-2-6-11(7-3-1)17-10-16-13-9-5-4-8-12(13)14-15-16/h1-9H,10H2
InChIKey OEGFHZKARGKVAQ-UHFFFAOYSA-N
Mol Weight 241.31 g/mol
Molecular Formula C13H11N3S
Exact Mass 241.067369 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID BJmZua3jamg
Name 1-[(Phenylthio)methyl]-1H-benzotriazole
Source of Sample Aldrich
Catalog Number 446920
CAS Registry Number 111198-03-9
Classification 5-membered fused aromatic heterocycles
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N3S
InChI InChI=1S/C13H11N3S/c1-2-6-11(7-3-1)17-10-16-13-9-5-4-8-12(13)14-15-16/h1-9H,10H2
InChIKey OEGFHZKARGKVAQ-UHFFFAOYSA-N
Purity 97%
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Mull
Wiley ID SIAL_FTIR_1_8284