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Isoeugenyl phenylacetate, mixture of cis and trans
SpectraBase Compound ID 8FgJLzyCnMJ
InChI InChI=1S/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3+
InChIKey YYLCMLYMJHKLEJ-XVNBXDOJSA-N
Mol Weight 282.34 g/mol
Molecular Formula C18H18O3
Exact Mass 282.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGR2W0lq1xM
Name Isoeugenyl phenylacetate
Source of Sample SAFC Cat.no. W247707
CAS Registry Number 120-24-1
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 282.125594437 u
Formula C18H18O3
InChI InChI=1S/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3+
InChIKey YYLCMLYMJHKLEJ-XVNBXDOJSA-N
Molecular Weight 282.339 g/mol
Number of Peaks 50
RI1 2294
RI2 1967
SMILES C(Cc1ccccc1)(=O)Oc1c(OC)cc(\C=C\C)cc1
SPLASH splash10-03dl-5900000000-3bf62ca27b6dcbe5043b
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 Benzeneacetic acid, 2-methoxy-4-(1-propenyl)phenyl ester
Wiley ID LM_FFNSC3_734