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(1S*,7R*,12R*)-2-Oxo-3-phenyltricyclo[5.4.1.0(4,12)]dodeca-3,10-diene
SpectraBase Compound ID GoQpAuBaeXA
InChI InChI=1S/C18H18O/c19-18-15-9-5-4-8-13-10-11-14(16(13)15)17(18)12-6-2-1-3-7-12/h1-3,5-7,9,13,15-16H,4,8,10-11H2/t13-,15+,16+/m1/s1
InChIKey KVUAYABMBCOUQB-KBMXLJTQSA-N
Mol Weight 250.34 g/mol
Molecular Formula C18H18O
Exact Mass 250.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JrnuHe4IyHb
Name (1S*,7R*,12R*)-2-Oxo-3-phenyltricyclo[5.4.1.0(4,12)]dodeca-3,10-diene
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Formula C18H18O
InChI InChI=1S/C18H18O/c19-18-15-9-5-4-8-13-10-11-14(16(13)15)17(18)12-6-2-1-3-7-12/h1-3,5-7,9,13,15-16H,4,8,10-11H2/t13-,15+,16+/m1/s1
InChIKey KVUAYABMBCOUQB-KBMXLJTQSA-N
Molecular Weight 250.341 g/mol
SMILES C12=C(C(=O)[C@@]3([C@]2([C@@](CCC=C3)([H])CC1)[H])[H])c1ccccc1
SPLASH splash10-052b-0910000000-9d4161bee976d0b083a8
Source of Spectrum OV-23-799-17
Synonyms (4aR,8aS,8bR)-2-phenyl-4,4a,5,6,8a,8b-hexahydrocyclopenta[cd]azulen-1(3H)-one
Wiley ID 1577970