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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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2WYd8AZwJYI
Name 1-[(Phenylthio)methyl]-1H-benzotriazole
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 446920
CAS Registry Number 111198-03-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_009843