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Propanoic acid, 2-methyl-, 3-phenyl-2-propenyl ester
SpectraBase Compound ID 6cDRr9oKrvz
InChI InChI=1S/C13H16O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6+
InChIKey KLKQSZIWHVEARN-RMKNXTFCSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxETYN4HvwP
Name Cinnamyl isobutyrate
Source of Sample SAFC Cat.no. W229709
CAS Registry Number 103-59-3
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 204.115029753 u
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6+
InChIKey KLKQSZIWHVEARN-RMKNXTFCSA-N
Molecular Weight 204.269 g/mol
Number of Peaks 50
RI1 1589
RI2 1267
RI3 1524
RI4 1485
RI5 1556
SMILES C(C(C)C)(=O)OC\C=C\c1ccccc1
SPLASH splash10-01bc-9400000000-025ffab64a0dd1c315d5
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 Propanoic acid, 2-methyl-, 3-phenyl-2-propenyl ester
Wiley ID LM_FFNSC3_46