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8-Ethyl-3,4,4a,5-tetrahydro-1H-benzo[7]annulen-6(2H)-one
SpectraBase Compound ID JKaoM4jjtzJ
InChI InChI=1S/C13H18O/c1-2-10-7-11-5-3-4-6-12(11)9-13(14)8-10/h7-8,12H,2-6,9H2,1H3
InChIKey YLXVCXXAKQCJCJ-UHFFFAOYSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CTTa5L5lSs
Name 8-Ethyl-3,4,4a,5-tetrahydro-1H-benzo[7]annulen-6(2H)-one
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 190.135765199 u
Formula C13H18O
InChI InChI=1S/C13H18O/c1-2-10-7-11-5-3-4-6-12(11)9-13(14)8-10/h7-8,12H,2-6,9H2,1H3
InChIKey YLXVCXXAKQCJCJ-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/chem.201404487
Molecular Weight 190.286 g/mol
Reported Formula C13H18O
SMILES C(C)C=1C=C2C(CC(C1)=O)CCCC2
SPLASH splash10-055p-2900000000-7323d75512d3d84c461e
Sample Comments dr = 2.9:1
Source of Spectrum QE-21-SM24-35i (DOI: 10.1002/chem.201404487)
Thin-Layer Chromatography 0.21 (PE/EtOAc, 90:10)
Wiley ID 1906816