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Citronellyl valerate
SpectraBase Compound ID EaypY5SMb5v
InChI InChI=1S/C15H28O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,14H,5-7,9-12H2,1-4H3
InChIKey PFOJEJPZUVQHEH-UHFFFAOYSA-N
Mol Weight 240.39 g/mol
Molecular Formula C15H28O2
Exact Mass 240.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0B8VXfhTiK
Name Citronellyl valerate
Source of Sample SAFC Cat.no. W231703
CAS Registry Number 7540-53-6
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 240.208930140 u
Formula C15H28O2
InChI InChI=1S/C15H28O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,14H,5-7,9-12H2,1-4H3
InChIKey PFOJEJPZUVQHEH-UHFFFAOYSA-N
Molecular Weight 240.387 g/mol
Number of Peaks 50
RI1 1624
RI2 1302
RI3 1294
RI4 1252
RI5 1608
SMILES C(CCCC)(=O)OCCC(C)CCC=C(C)C
SPLASH splash10-05o1-9100000000-26aea07816453c2e2e4d
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 Pentanoic acid, 3,7-dimethyl-6-octenyl ester
Wiley ID LM_FFNSC3_59