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(E,5S)-5-benzoxy-6-methyl-hept-2-enoic acid ethyl ester
SpectraBase Compound ID HSOWGbQ0trf
InChI InChI=1S/C17H24O3/c1-4-19-17(18)12-8-11-16(14(2)3)20-13-15-9-6-5-7-10-15/h5-10,12,14,16H,4,11,13H2,1-3H3/b12-8+/t16-/m0/s1
InChIKey VCELBYFQMBRGQV-RCLKMUNOSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44pM2qEvJnh
Name (E,5S)-5-benzoxy-6-methyl-hept-2-enoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-4-19-17(18)12-8-11-16(14(2)3)20-13-15-9-6-5-7-10-15/h5-10,12,14,16H,4,11,13H2,1-3H3/b12-8+/t16-/m0/s1
InChIKey VCELBYFQMBRGQV-RCLKMUNOSA-N
Molecular Weight 276.376 g/mol
SMILES C(\C=C\C[C@](OCc1ccccc1)(C(C)C)[H])(=O)OCC
SPLASH splash10-0006-9100000000-8e3ce613911175526b53
Source of Spectrum J-61-6344-9
Synonyms (E,5S)-6-methyl-5-phenylmethoxy-2-heptenoic acid ethyl ester Ethyl (E,5S)-5-benzyloxy-6-methyl-hept-2-enoate Ethyl (E,5S)-6-methyl-5-phenylmethoxy-hept-2-enoate
Wiley ID 1280379