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1-Hydroxybenzotriazole

View entire compound with spectra: 2 NMR, 4 FTIR, and 2 Raman

1-Hydroxybenzotriazole
SpectraBase Compound ID EMsyVwoS9oz
InChI InChI=1S/C6H5N3O.H2O/c10-9-6-4-2-1-3-5(6)7-8-9;/h1-4,10H;1H2
InChIKey PJUPKRYGDFTMTM-UHFFFAOYSA-N
Mol Weight 153.14 g/mol
Molecular Formula C6H7N3O2
Exact Mass 153.053826 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bgdhft6tv64
Name 1-Hydroxybenzotriazole hydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 157260
CAS Registry Number 123333-53-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7N3O2
InChI InChI=1S/C6H5N3O.H2O/c10-9-6-4-2-1-3-5(6)7-8-9;/h1-4,10H;1H2
InChIKey PJUPKRYGDFTMTM-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms HOBt Hydrate
Wiley ID SIAL_13CNMR_001752