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(+)-Catechin hydrate

View entire compound with spectra: 3 NMR, 2 FTIR, and 1 Raman

(+)-Catechin hydrate
SpectraBase Compound ID 8IWX4tZyjox
InChI InChI=1S/C15H14O6.H2O/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-5,13,15-20H,6H2;1H2/t13-,15+;/m0./s1
InChIKey OFUMQWOJBVNKLR-NQQJLSKUSA-N
Mol Weight 308.29 g/mol
Molecular Formula C15H16O7
Exact Mass 308.089603 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 2mvT3ZyM8XR
Name (+)-Catechin hydrate
Source of Sample Aldrich
Catalog Number 224022
CAS Registry Number 225937-10-0
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 C15H14O6*xH2O
InChI InChI=1S/C15H14O6.H2O/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-5,13,15-20H,6H2;1H2/t13-,15+;/m0./s1
InChIKey OFUMQWOJBVNKLR-NQQJLSKUSA-N
Purity 98%
Wiley ID SIAL_ATR-IR_011306