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3-Isoquinolinecarboxylic acid hydrate

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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

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID KxFSg38ebjy
Name 3-Isoquinolinecarboxylic acid hydrate
Source of Sample Aldrich
Catalog Number 338540
CAS Registry Number 207399-25-5
Comments MW calculated on anhydrous base
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7NO2*xH2O
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
Purity 99%
Wiley ID SIAL_ATR-IR_016030