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ISOPIMARATE,METHYLESTER

View entire compound with spectra: 2 NMR, and 1 MS (GC)

ISOPIMARATE,METHYLESTER
SpectraBase Compound ID 5uw5C8S9TZw
InChI InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17+,19-,20+,21+/m0/s1
InChIKey QMZKBAQNFAMESG-GBMAXXPESA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jy3XdAyNKfu
Name ISOPIMARATE,METHYLESTER
Compound Number 3A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17+,19-,20+,21+/m0/s1
InChIKey QMZKBAQNFAMESG-GBMAXXPESA-N
Literature Reference Author B.DELMOND,B.PAPILLAUD,J.VALADE,M.PETRAUD,B.BARBE
Literature Reference Citation ORG.MAGN.RES.,12,209(1979)
Literature Reference DOI 10.1002/mrc.1270120408
Molecular Weight 316.484 g/mol
Solvent CDCl3
Source File Reference UNIW2999