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DIMETHYLAGATHAT
SpectraBase Compound ID IE3usP97R6C
InChI InChI=1S/C22H34O4/c1-15(14-19(23)25-5)8-10-17-16(2)9-11-18-21(17,3)12-7-13-22(18,4)20(24)26-6/h14,17-18H,2,7-13H2,1,3-6H3/b15-14+
InChIKey GVEUOELTSSYBCA-CCEZHUSRSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3j47qr5mPjY
Name Agathic acid, dimethyl ester
CAS Registry Number 1757-85-3
Comments FROM BUCKWALTER REASSIGNED R.R. C15 WAS CHANGED FROM 177.20 PPM TO 167.20 PPM (PRINTING ERROR ?)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-15(14-19(23)25-5)8-10-17-16(2)9-11-18-21(17,3)12-7-13-22(18,4)20(24)26-6/h14,17-18H,2,7-13H2,1,3-6H3/b15-14+
InChIKey GVEUOELTSSYBCA-CCEZHUSRSA-N
Instrument Name Varian CFT-20
Literature Reference J. Bastard, D.K. Duc, M. Fetizon, J. Nat. Products 47, 592 (1984).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3