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1H-Benzotriazole-1-carboxylic acid, methyl ester
SpectraBase Compound ID IfZn3WG1Cel
InChI InChI=1S/C8H7N3O2/c1-13-8(12)11-7-5-3-2-4-6(7)9-10-11/h2-5H,1H3
InChIKey DLEZVOPJBSAAGW-UHFFFAOYSA-N
Mol Weight 177.16 g/mol
Molecular Formula C8H7N3O2
Exact Mass 177.053826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6wYKugaDDF6
Name 1H-Benzotriazole-1-carboxylic acid, methyl ester
CAS Registry Number 86298-22-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H7N3O2
InChI InChI=1S/C8H7N3O2/c1-13-8(12)11-7-5-3-2-4-6(7)9-10-11/h2-5H,1H3
InChIKey DLEZVOPJBSAAGW-UHFFFAOYSA-N
Instrument Name Bruker AM-500
Literature Reference M. Begtrup, J. Elguero, R. Faure, Magn. Res. Chem. 26, 134 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3