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7-Propan-2-ylidene-2,3,3a,4,6,7-hexahydroazulen-5(1H)-one
SpectraBase Compound ID IWDbbMJbQlM
InChI InChI=1S/C13H18O/c1-9(2)12-6-10-4-3-5-11(10)7-13(14)8-12/h6,11H,3-5,7-8H2,1-2H3
InChIKey FJWLGBVKRHMYPC-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 5YiCspZCjte
Name 7-Propan-2-ylidene-2,3,3a,4,6,7-hexahydroazulen-5(1H)-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/c1-9(2)12-6-10-4-3-5-11(10)7-13(14)8-12/h6,11H,3-5,7-8H2,1-2H3
InChIKey FJWLGBVKRHMYPC-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/chem.201404487
Molecular Weight 190.286 g/mol
Quality 312
Reported Formula C13H18O
SMILES CC(C)=C1CC(CC2C(=C1)CCC2)=O
SPLASH splash10-0006-2900000000-77b2efae2bfa9ab12d27
Source of Spectrum QE-21-SM28-35f (DOI: 10.1002/chem.201404487)
Thin-Layer Chromatography 0.31 (PE/EtOAc, 90:10)
Wiley ID 1906812