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7-Methyl-2,3,3a,4-tetrahydroazulen-5(1H)-one
SpectraBase Compound ID 3hQ63bJIBNA
InChI InChI=1S/C11H14O/c1-8-5-9-3-2-4-10(9)7-11(12)6-8/h5-6,10H,2-4,7H2,1H3
InChIKey RGTQKLSTLBPPKB-UHFFFAOYSA-N
Mol Weight 162.23 g/mol
Molecular Formula C11H14O
Exact Mass 162.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tcN1ddvB85
Name 7-Methyl-2,3,3a,4-tetrahydroazulen-5(1H)-one
Appearance Pale yellow oil
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Exact Mass 162.104465070 u
Formula C11H14O
InChI InChI=1S/C11H14O/c1-8-5-9-3-2-4-10(9)7-11(12)6-8/h5-6,10H,2-4,7H2,1H3
InChIKey RGTQKLSTLBPPKB-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/chem.201404487
Molecular Weight 162.232 g/mol
Quality 374
Reported Formula C11H14O
SMILES CC1=CC(CC2C(=C1)CCC2)=O
SPLASH splash10-07bf-5900000000-4586f069cf4b200e128b
Source of Spectrum QE-21-SM28-35h (DOI: 10.1002/chem.201404487)
Thin-Layer Chromatography 0.19 (PE/EtOAc, 90:10)
Wiley ID 1906814