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Linalyl benzoate
SpectraBase Compound ID FXNfqYFBmUr
InChI InChI=1S/C17H22O2/c1-5-17(4,13-9-10-14(2)3)19-16(18)15-11-7-6-8-12-15/h5-8,10-12H,1,9,13H2,2-4H3
InChIKey BTJXBZZBBNNTOV-UHFFFAOYSA-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 FtoHZg5QIsd
Name Linalyl benzoate
Source of Sample SAFC Cat.no. W263818
CAS Registry Number 126-64-7
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/c1-5-17(4,13-9-10-14(2)3)19-16(18)15-11-7-6-8-12-15/h5-8,10-12H,1,9,13H2,2-4H3
InChIKey BTJXBZZBBNNTOV-UHFFFAOYSA-N
Molecular Weight 258.361 g/mol
Number of Peaks 50
RI1 1796
RI2 1473
RI3 1718
RI4 1682
SMILES C(c1ccccc1)(=O)OC(CCC=C(C)C)(C=C)C
SPLASH splash10-0006-9300000000-03f97f75af8932b18fef
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 1,6-Octadien-3-ol, 3,7-dimethyl-, benzoate
Wiley ID LM_FFNSC3_468