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Linalool isovalerate
SpectraBase Compound ID KTwCRa2XTDP
InChI InChI=1S/C15H26O2/c1-7-15(6,10-8-9-12(2)3)17-14(16)11-13(4)5/h7,9,13H,1,8,10-11H2,2-6H3
InChIKey WCDGWAIZRYMVOW-UHFFFAOYSA-N
Mol Weight 238.37 g/mol
Molecular Formula C15H26O2
Exact Mass 238.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1f1weh9dHsa
Name Linalyl isovalerate
Source of Sample SAFC Cat.no. W264601
CAS Registry Number 1118-27-0
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 238.193280075 u
Formula C15H26O2
InChI InChI=1S/C15H26O2/c1-7-15(6,10-8-9-12(2)3)17-14(16)11-13(4)5/h7,9,13H,1,8,10-11H2,2-6H3
InChIKey WCDGWAIZRYMVOW-UHFFFAOYSA-N
Molecular Weight 238.371 g/mol
Number of Peaks 50
RI1 1464
RI2 1142
RI3 1111
RI4 1069
SMILES C(CC(C)C)(=O)OC(CCC=C(C)C)(C=C)C
SPLASH splash10-0006-9100000000-aaeddd15bdf8d1e00fee
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-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
Wiley ID LM_FFNSC3_574