For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Esculin hydrate

Compound with spectra: 2 NMR, and 2 FTIR

Esculin hydrate
SpectraBase Compound ID 25nrXZvTM5U
InChI InChI=1S/C15H16O9.H2O/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17;/h1-4,10,12-17,19-21H,5H2;1H2/t10-,12-,13+,14-,15-;/m1./s1
InChIKey CQYPGSKIFJFVDQ-QWFKVUSTSA-N
Mol Weight 358.3 g/mol
Molecular Formula C15H18O10
Exact Mass 358.089997 g/mol
Enantiomer InChIKey CQYPGSKIFJFVDQ-HKQIAPKRSA-N

View Spectrum of Esculin hydrate

ATR-IR Spectrum
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Cayman Chemical Company
Source of Spectrum Forensic Spectral Research
Catalog Number 28514

View Spectrum of Esculin hydrate

ATR-IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number E2809

View Spectrum of Esculin hydrate

13C NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number E2809
Solvent CDCl3 & DMSO-d6

View Spectrum of Esculin hydrate

1H NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number E2809
Solvent CDCl3 & DMSO-d6
  • Aesculin
  • Enallachrome
  • 6-(β-D-glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one, hydrate
  • Esculin monohydrate
Esculin sesquihydrate
SALVIAFLASIDE-K
DRACUNCULIFOSIDE-K
4,4'-O-DI-BETA-D-GLUCOPYRANOSYL-ROSMARINIC-ACID
4'-O-BETA-D-GLUCOPYRANOSYL-ROSMARINIC-ACID
SPPYYXOQQMWVFK-SNHVMUJUSA-N
SHOMASIDE_E
ROCYMOSIN A
ROCYMOSIN-A;3-O-(6'-O-GALLOYL)-BETA-D-GLUCOPYRANOSYL-4-HYDROXYPHENETHYL-ALCOHOL
LARREALIGNAN-A

This compound is available in the following databases:

KnowItAll NMR Spectral Library
Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

KnowItAll IR, Raman, and UV-Vis Spectral Libraries
Author: Wiley

The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.

Vendor/Supplier Catalog Number
Cayman Chemical Company
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.