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Geranyl octanoate
SpectraBase Compound ID 4i3HEe6dWes
InChI InChI=1S/C18H32O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,14H,5-10,12-13,15H2,1-4H3/b17-14+
InChIKey YYBMOGCOPQVSLQ-SAPNQHFASA-N
Mol Weight 280.5 g/mol
Molecular Formula C18H32O2
Exact Mass 280.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gilx1Vn5ypk
Name Geranyl octanoate
CAS Registry Number 51532-26-4
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 280.240230268 u
Formula C18H32O2
InChI InChI=1S/C18H32O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,14H,5-10,12-13,15H2,1-4H3/b17-14+
InChIKey YYBMOGCOPQVSLQ-SAPNQHFASA-N
Molecular Weight 280.452 g/mol
Number of Peaks 50
RI1 1943
RI2 1617
RI3 1667
RI4 1629
SMILES C(=CCC\C(=C\COC(CCCCCCC)=O)C)(C)C
SPLASH splash10-014l-9100000000-4c530742c9020f2ee777
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 Octanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester
Wiley ID LM_FFNSC3_1383