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8-Butan-2-ylidene-3,4,4a,5,7,8-hexahydro-1H-benzo[7]annulen-6(2H)-one
SpectraBase Compound ID 3Hrw0hVC92t
InChI InChI=1S/C15H22O/c1-3-11(2)14-8-12-6-4-5-7-13(12)9-15(16)10-14/h8,13H,3-7,9-10H2,1-2H3
InChIKey SNBKEIWJSSPFSX-UHFFFAOYSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DoHejk4Te1U
Name 8-Butan-2-ylidene-3,4,4a,5,7,8-hexahydro-1H-benzo[7]annulen-6(2H)-one
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.167065327 u
Formula C15H22O
InChI InChI=1S/C15H22O/c1-3-11(2)14-8-12-6-4-5-7-13(12)9-15(16)10-14/h8,13H,3-7,9-10H2,1-2H3
InChIKey SNBKEIWJSSPFSX-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/chem.201404487
Molecular Weight 218.340 g/mol
Quality 242
Reported Formula C15H22O
SMILES CC(CC)=C1C=C2C(CC(C1)=O)CCCC2
SPLASH splash10-014i-3980000000-c6f66ef71291be2e5773
Sample Comments dr = 1.2:1
Source of Spectrum QE-21-SM25-35b (DOI: 10.1002/chem.201404487)
Thin-Layer Chromatography 0.38 (PE/EtOAc, 90:10)
Wiley ID 1906808