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(-)-Carvyl propionate, mixture of isomers
SpectraBase Compound ID 2dGhLpAqybg
InChI InChI=1S/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3
InChIKey DFVXNZOMAOGTBL-UHFFFAOYSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JW3d6HSiUQq
Name Carvyl propionate
Source of Sample SAFC Cat.no. W225118
CAS Registry Number 97-45-0
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 208.146329882 u
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3
InChIKey DFVXNZOMAOGTBL-UHFFFAOYSA-N
Molecular Weight 208.301 g/mol
Number of Peaks 50
RI1 1452
RI2 1130
RI3 1180
RI4 1139
SMILES C1(C(=CCC(C1)C(=C)C)C)OC(CC)=O
SPLASH splash10-0a4l-9500000000-8f85189749f314862a57
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-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, propanoate
Wiley ID LM_FFNSC3_315