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4-(Benzylidene)bicyclo[4.3.0]-2-oxanona-3-one isomer
SpectraBase Compound ID FjFAYEKCBqk
InChI InChI=1S/C15H16O2/c16-15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-3,6-7,10,12,14H,4-5,8-9H2/b13-10-/t12-,14+/m0/s1
InChIKey NKQRCKBRNIYLNM-NQAKMWCRSA-N
Mol Weight 228.29 g/mol
Molecular Formula C15H16O2
Exact Mass 228.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Ot6lgxhl2J
Name 4-(Benzylidene)bicyclo[4.3.0]-2-oxanona-3-one isomer
Alternate Name(s) (3aS,7aR)-3-[1-Phenyl-meth-(Z)-ylidene]-hexahydro-benzofuran-2-one (4E)-4-benzylidenehexahydrocyclopenta[b]pyran-3(2H)-one 4-(Benzylidene)bicyclo[4.3.0]-2-oxanona-3-one
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Formula C15H16O2
InChI InChI=1S/C15H16O2/c16-15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-3,6-7,10,12,14H,4-5,8-9H2/b13-10-/t12-,14+/m0/s1
InChIKey NKQRCKBRNIYLNM-NQAKMWCRSA-N
Molecular Weight 228.291 g/mol
SMILES C1(\C([C@]2([C@](O1)(CCCC2)[H])[H])=C/c1ccccc1)=O
SPLASH splash10-004l-3910000000-8dec68b663fc1671d700
Source of Spectrum J-57-4703-40
Wiley ID 1230186