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1,3,6-Methenocyclopenta[cd]pentalen-5(1H)-one, octahydro-7-phenyl-
SpectraBase Compound ID Be3aT3RjdhY
InChI InChI=1S/C17H16O/c18-16-10-7-11-9-6-12-14(13(9)10)15(16)17(11,12)8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11-,12-,13-,14-,15-,17+/m1/s1
InChIKey YWXGIJDVUFHUGS-LBPFRDALSA-N
Mol Weight 236.31 g/mol
Molecular Formula C17H16O
Exact Mass 236.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dpoYRVqnfm
Name 1,3,6-Methenocyclopenta[cd]pentalen-5(1H)-one, octahydro-7-phenyl-
Alternate Name(s) 7-Phenylpentacyclo[5.4.0.0(2,6).0(3,10).0(4,8)]undecan-11-one
CAS Registry Number 82968-73-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O
InChI InChI=1S/C17H16O/c18-16-10-7-11-9-6-12-14(13(9)10)15(16)17(11,12)8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11-,12-,13-,14-,15-,17+/m1/s1
InChIKey YWXGIJDVUFHUGS-LBPFRDALSA-N
Molecular Weight 236.314 g/mol
SMILES [C@]12([C@]3(C(=O)[C@]4(C[C@@]2([C@]2(C[C@@]1([C@@]3([C@@]42[H])[H])[H])[H])[H])[H])[H])c1ccccc1
SPLASH splash10-0abc-0910000000-8e6851b7a0a37c037204
Source of Spectrum AJ-59-2817-9
Wiley ID 1239128