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Citronellyl butyrate
SpectraBase Compound ID BFNxoGv9rEq
InChI InChI=1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3
InChIKey XQPZQXTWYZAXAK-UHFFFAOYSA-N
Mol Weight 226.36 g/mol
Molecular Formula C14H26O2
Exact Mass 226.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dn1Uxqm2LdB
Name Citronellyl butyrate
Source of Sample SAFC Cat.no. W251208
CAS Registry Number 141-16-2
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 226.193280075 u
Formula C14H26O2
InChI InChI=1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3
InChIKey XQPZQXTWYZAXAK-UHFFFAOYSA-N
Molecular Weight 226.360 g/mol
Number of Peaks 50
RI1 1529
RI2 1205
RI3 1160
RI4 1118
RI5 1516
SMILES C(OCCC(C)CCC=C(C)C)(CCC)=O
SPLASH splash10-00sm-9100000000-b479e11938c02d2e0096
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, 3,7-dimethyl-6-octenyl ester
Wiley ID LM_FFNSC3_167