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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 Cg7XN7PG1AZ
Name (E)-Isoeugenyl phenylacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O3
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
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
SMILES c1(ccccc1)CC(=O)Oc1c(OC)cc(cc1)\C=C\C
SPLASH splash10-03dl-6900000000-63470135b6f234ffc4fd
Source ex ALDRICH
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Isoeugenyl phenylacetate
Wiley ID 1886520