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5,6-Dimethyl-1H-benzotriazole monohydrate

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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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 48LxfQXrbpT
Name 5,6-Dimethyl-1H-benzotriazole monohydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number D150002
CAS Registry Number 1354973-50-4
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11N3O
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
Observed nucleus 13C
Purity 99%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_011413