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Geranyl 2-methyl butanoate
SpectraBase Compound ID EH1Uyi66jQK
InChI InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+
InChIKey PEQMAZJTEUEQJP-JLHYYAGUSA-N
Mol Weight 238.37 g/mol
Molecular Formula C15H26O2
Exact Mass 238.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FskHuetZij
Name Geranyl <2-methylbutyrate->
CAS Registry Number 68705-63-5
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 238.193280075 u
Formula C15H26O2
InChI InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+
InChIKey PEQMAZJTEUEQJP-JLHYYAGUSA-N
Molecular Weight 238.371 g/mol
Number of Peaks 50
RI1 1596
RI2 1274
SMILES C(=CCC\C(=C\COC(C(CC)C)=O)C)(C)C
SPLASH splash10-014l-9100000000-694faedcffc08daa64fc
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 Butanoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester
Wiley ID LM_FFNSC3_1705