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DIMETHYLAGATHAT

View entire compound with spectra: 7 NMR, and 7 MS (GC)

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 4BQWSd7F3fn
Name Agathic acid, dimethyl ester
CAS Registry Number 1757-85-3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. 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
Literature Reference A. Patra, A.K. Mitra, S. Biswas, Org. Magn. Resonance 16, 75 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3