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1-Naphthalenepentanoic acid, decahydro-.beta.,5,5,8a-tetramethyl-2-methylene-, methyl ester, [1R-[1.alpha.(S*),4a.beta.,8a.alpha.]]-

View entire compound with spectra: 1 FTIR, and 6 MS (GC)

1-Naphthalenepentanoic acid, decahydro-.beta.,5,5,8a-tetramethyl-2-methylene-, methyl ester, [1R-[1.alpha.(S*),4a.beta.,8a.alpha.]]-
SpectraBase Compound ID 5SjljChAPQR
InChI InChI=1S/C21H36O2/c1-15(14-19(22)23-6)8-10-17-16(2)9-11-18-20(3,4)12-7-13-21(17,18)5/h15,17-18H,2,7-14H2,1,3-6H3
InChIKey AOKUBKCGRXTZDV-UHFFFAOYSA-N
Mol Weight 320.5 g/mol
Molecular Formula C21H36O2
Exact Mass 320.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15ltvTjzDY1
Name Methyl eperuate
CAS Registry Number 13008-80-5
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 320.271530397 u
Formula C21H36O2
InChI InChI=1S/C21H36O2/c1-15(14-19(22)23-6)8-10-17-16(2)9-11-18-20(3,4)12-7-13-21(17,18)5/h15,17-18H,2,7-14H2,1,3-6H3
InChIKey AOKUBKCGRXTZDV-UHFFFAOYSA-N
Molecular Weight 320.517 g/mol
Number of Peaks 50
RI1 2223
SMILES C12(C)C(C(C)(C)CCC2)CCC(C1CCC(CC(OC)=O)C)=C
SPLASH splash10-0ap0-9500000000-11a1c3b4bf39fea87692
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1-Naphthalenepentanoic acid, decahydro-beta,5,5,8a-tetramethyl-2-methylene-, methyl ester
Wiley ID LM_FFNSC3_2198