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benzoic acid, geranyl ester
SpectraBase Compound ID HHGyBq6hnln
InChI InChI=1S/C17H22O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-12H,7,9,13H2,1-3H3/b15-12+
InChIKey YDVXYTIIPGKIJP-NTCAYCPXSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfTLckWel5l
Name Geranyl benzoate
Source of Sample SAFC Cat.no. W251100
CAS Registry Number 94-48-4
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 258.161979946 u
Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-12H,7,9,13H2,1-3H3/b15-12+
InChIKey YDVXYTIIPGKIJP-NTCAYCPXSA-N
Molecular Weight 258.361 g/mol
Number of Peaks 50
RI1 1965
RI2 1640
SMILES C(c1ccccc1)(=O)OC\C=C/(C)CCC=C(C)C
SPLASH splash10-066u-9300000000-e66b489af3f7fe3fbe2b
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 2,6-Octadien-1-ol, 3,7-dimethyl-, benzoate, (2E)-
Wiley ID LM_FFNSC3_862