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5,6-Dimethyl-1H-benzotriazole monohydrate

View entire compound with spectra: 2 NMR, 2 FTIR, and 1 Raman

5,6-Dimethyl-1H-benzotriazole monohydrate
SpectraBase Compound ID BxLhWhDY58r
InChI InChI=1S/C8H9N3.H2O/c1-5-3-7-8(4-6(5)2)10-11-9-7;/h3-4H,1-2H3,(H,9,10,11);1H2
InChIKey VVWPOQUENPOMAK-UHFFFAOYSA-N
Mol Weight 165.2 g/mol
Molecular Formula C8H11N3O
Exact Mass 165.090212 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JCY4iVeiW7N
Name 5,6-Dimethyl-1H-benzotriazole monohydrate
Catalog Number D150002
Brand ALDRICH
CAS Registry Number 1354973-50-4
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11N3O
Formula (reported) C8H11N3O
InChI InChI=1S/C8H9N3.H2O/c1-5-3-7-8(4-6(5)2)10-11-9-7;/h3-4H,1-2H3,(H,9,10,11);1H2
InChIKey VVWPOQUENPOMAK-UHFFFAOYSA-N
Purity 99%
Wiley ID SIAL_RAMAN_003912