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3-Isoquinolinecarboxylic acid hydrate

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

3-Isoquinolinecarboxylic acid hydrate
SpectraBase Compound ID JSGIToXlD4d
InChI InChI=1S/C10H7NO2.O/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-6H,(H,12,13);
InChIKey HKUONYJMSQFZMN-UHFFFAOYSA-N
Mol Weight 189.17 g/mol
Molecular Formula C10H7NO3
Exact Mass 189.042593 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Aa3ZgoQNLMq
Name 3-Isoquinolinecarboxylic acid hydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 338540
CAS Registry Number 207399-25-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7NO3
InChI InChI=1S/C10H7NO2.O/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-6H,(H,12,13);
InChIKey HKUONYJMSQFZMN-UHFFFAOYSA-N
Observed nucleus 1H
Purity 99%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_006873