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2,2'-Di-O-acetyl-5-chloro-divaricatic acid
SpectraBase Compound ID 105gTWMZ1XM
InChI InChI=1S/C25H27ClO9/c1-6-8-15-10-16(11-18(33-13(3)27)21(15)24(29)30)35-25(31)22-17(9-7-2)23(26)20(32-5)12-19(22)34-14(4)28/h10-12H,6-9H2,1-5H3,(H,29,30)
InChIKey NANIMTHEGLHWKO-UHFFFAOYSA-N
Mol Weight 506.94 g/mol
Molecular Formula C25H27ClO9
Exact Mass 506.13436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9aqnSQICDrr
Name 2,2'-Di-O-acetyl-5-chloro-divaricatic acid
CAS Registry Number 74927-45-0
Comments SHIFT OF 50.2 PPM REPORTED FOR C23 - C25 MUST BE IN ERROR
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H27ClO9
InChI InChI=1S/C25H27ClO9/c1-6-8-15-10-16(11-18(33-13(3)27)21(15)24(29)30)35-25(31)22-17(9-7-2)23(26)20(32-5)12-19(22)34-14(4)28/h10-12H,6-9H2,1-5H3,(H,29,30)
InChIKey NANIMTHEGLHWKO-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 CDCl3