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

*Links on SpectraBase are not permalinks.
3-O-METHYLTITHONIN
SpectraBase Compound ID 6S9YCPGxM5S
InChI InChI=1S/C21H30O7/c1-6-12(2)18(23)27-16-10-20(11-22)7-8-21(25-5,28-20)13(3)9-15-17(16)14(4)19(24)26-15/h9,12,15-17,22H,4,6-8,10-11H2,1-3,5H3/b13-9-/t12?,15-,16+,17-,20+,21-/m0/s1
InChIKey LEUUHZDDLPUPTN-IIBXBYIXSA-N
Mol Weight 394.46 g/mol
Molecular Formula C21H30O7
Exact Mass 394.199153 g/mol
Enantiomer InChIKey LEUUHZDDLPUPTN-NYYYBULZSA-N
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Chloroform-d

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.

Wiley Registry of Mass Spectral Data 12th Edition

Author: Wiley

The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library. Learn more.

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.