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(E)-methyl 3-benzylidene-4-oxooctahydropentalene-3a-carboxylate
SpectraBase Compound ID DMqmwptTiW0
InChI InChI=1S/C17H18O3/c1-20-16(19)17-13(9-10-15(17)18)7-8-14(17)11-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/b14-11+
InChIKey HAACIJBCZMLKIL-SDNWHVSQSA-N
Mol Weight 270.33 g/mol
Molecular Formula C17H18O3
Exact Mass 270.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IaHQMJdOXt7
Name (E)-methyl 3-benzylidene-4-oxooctahydropentalene-3a-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O3
InChI InChI=1S/C17H18O3/c1-20-16(19)17-13(9-10-15(17)18)7-8-14(17)11-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/b14-11+
InChIKey HAACIJBCZMLKIL-SDNWHVSQSA-N
Literature Reference DOI 10.1002/adsc.201600175
Molecular Weight 270.328 g/mol
SMILES C12(\C(CCC2CCC1=O)=C\c1ccccc1)C(=O)OC
SPLASH splash10-001i-2920000000-0695cc8ba4df0723e55f
Source of Spectrum ASC-358-1820/SM16-39a
Synonyms Methyl (E)-3-benzylidene-4-oxohexahydropentalene-3a(1H)-carboxylate
Wiley ID 1807418