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8-(1-Phenylethylidene)-3,4,4a,5,7,8-hexahydro-1H-benzo[7]annulen-6(2H)-one
SpectraBase Compound ID I3ml2DbBNHW
InChI InChI=1S/C19H22O/c1-14(15-7-3-2-4-8-15)18-11-16-9-5-6-10-17(16)12-19(20)13-18/h2-4,7-8,11,17H,5-6,9-10,12-13H2,1H3
InChIKey KJAVMIFWAVMLPG-UHFFFAOYSA-N
Mol Weight 266.38 g/mol
Molecular Formula C19H22O
Exact Mass 266.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3oKUjIl7Zzr
Name 8-(1-Phenylethylidene)-3,4,4a,5,7,8-hexahydro-1H-benzo[7]annulen-6(2H)-one
Appearance Pale yellow oil
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Exact Mass 266.167065327 u
Formula C19H22O
InChI InChI=1S/C19H22O/c1-14(15-7-3-2-4-8-15)18-11-16-9-5-6-10-17(16)12-19(20)13-18/h2-4,7-8,11,17H,5-6,9-10,12-13H2,1H3
InChIKey KJAVMIFWAVMLPG-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/chem.201404487
Molecular Weight 266.384 g/mol
Quality 173
Reported Formula C19H22O
SMILES C1(=CC=CC=C1)C(C)=C1C=C2C(CC(C1)=O)CCCC2
SPLASH splash10-066r-4590000000-a72aa23df73cc55d7d78
Sample Comments dr = 1.5:1
Source of Spectrum QE-21-SM27-35d (DOI: 10.1002/chem.201404487)
Thin-Layer Chromatography 0.32 (PE/EtOAc, 90:10)
Wiley ID 1906810