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8-Pentan-3-ylidene-3,4,4a,5,7,8-hexahydro-1H-benzo[7]annulen-6(2H)-one
SpectraBase Compound ID 38l9l7XAaML
InChI InChI=1S/C16H24O/c1-3-12(4-2)15-9-13-7-5-6-8-14(13)10-16(17)11-15/h9,14H,3-8,10-11H2,1-2H3
InChIKey XIIWCMLNTXIMDR-UHFFFAOYSA-N
Mol Weight 232.37 g/mol
Molecular Formula C16H24O
Exact Mass 232.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tjNKT0GAay
Name 8-Pentan-3-ylidene-3,4,4a,5,7,8-hexahydro-1H-benzo[7]annulen-6(2H)-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.182715392 u
Formula C16H24O
InChI InChI=1S/C16H24O/c1-3-12(4-2)15-9-13-7-5-6-8-14(13)10-16(17)11-15/h9,14H,3-8,10-11H2,1-2H3
InChIKey XIIWCMLNTXIMDR-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/chem.201404487
Molecular Weight 232.367 g/mol
Quality 364
Reported Formula C16H24O
SMILES CCC(CC)=C1C=C2C(CC(C1)=O)CCCC2
SPLASH splash10-001i-3980000000-d2409b719ee5d4da9990
Source of Spectrum QE-21-SM26-35c (DOI: 10.1002/chem.201404487)
Thin-Layer Chromatography 0.40 (PE/EtOAc, 90:10)
Wiley ID 1906809