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(E)-methyl 4-(2-acetylhept-1-enyl)benzoate
SpectraBase Compound ID 3zROAgN0gmI
InChI InChI=1S/C17H22O3/c1-4-5-6-7-16(13(2)18)12-14-8-10-15(11-9-14)17(19)20-3/h8-12H,4-7H2,1-3H3/b16-12+
InChIKey ILHFACQAFYQRAP-FOWTUZBSSA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpamItlqmdg
Name (E)-methyl 4-(2-acetylhept-1-enyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O3
InChI InChI=1S/C17H22O3/c1-4-5-6-7-16(13(2)18)12-14-8-10-15(11-9-14)17(19)20-3/h8-12H,4-7H2,1-3H3/b16-12+
InChIKey ILHFACQAFYQRAP-FOWTUZBSSA-N
Ionization Type EI
Molecular Weight 274.360 g/mol
SMILES CC(\C(=C\c1ccc(cc1)C(OC)=O)CCCCC)=O
SPLASH splash10-014i-4590000000-60bd849f3fb5121034af
Source of Spectrum US20100111888A1
Wiley ID 1842201