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

*Links on SpectraBase are not permalinks.

3-Chloro-divaricatic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Chloro-divaricatic acid
SpectraBase Compound ID B3flgYFThDp
InChI InChI=1S/C21H23ClO7/c1-4-6-11-8-13(10-14(23)16(11)20(25)26)29-21(27)17-12(7-5-2)9-15(28-3)18(22)19(17)24/h8-10,23-24H,4-7H2,1-3H3,(H,25,26)
InChIKey WVJIULQLWBXJKO-UHFFFAOYSA-N
Mol Weight 422.86 g/mol
Molecular Formula C21H23ClO7
Exact Mass 422.113231 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Bv4Md1LR2O4
Name 3-Chloro-divaricatic acid
CAS Registry Number 74927-41-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H23ClO7
InChI InChI=1S/C21H23ClO7/c1-4-6-11-8-13(10-14(23)16(11)20(25)26)29-21(27)17-12(7-5-2)9-15(28-3)18(22)19(17)24/h8-10,23-24H,4-7H2,1-3H3,(H,25,26)
InChIKey WVJIULQLWBXJKO-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference S. Huneck, G. Sundholm, Phytochem. 19, 645 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Acetone-D6