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1,4-Methanocyclopenta[cd]pentalen-2(1H)-one, 2a,3,4,4a,6a,6b-hexahydro-7-phenyl-, (1.alpha.,2a.beta.,4.alpha.,4a.beta.,6a.beta.,6b.beta.,7S*)-
SpectraBase Compound ID AockY15VOUG
InChI InChI=1S/C17H16O/c18-17-13-8-12-10-6-7-11(15(10)13)16(17)14(12)9-4-2-1-3-5-9/h1-7,10-16H,8H2/t10-,11?,12-,13+,14-,15+,16+/m0/s1
InChIKey OJCVSVGXONOPAW-UNMZNPLISA-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 DBVfgMXJanx
Name 1,4-Methanocyclopenta[cd]pentalen-2(1H)-one, 2a,3,4,4a,6a,6b-hexahydro-7-phenyl-, (1.alpha.,2a.beta.,4.alpha.,4a.beta.,6a.beta.,6b.beta.,7S*)-
Alternate Name(s) 10-Phenyltetracyclo[5.3.1.0(2,6).0(5,9)]undedc-3-en-8-one 8-Phenyltetracyclo[5.3.1.0(2,6).0(3,9)]undec-4-en-10-one
CAS Registry Number 82968-74-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O
InChI InChI=1S/C17H16O/c18-17-13-8-12-10-6-7-11(15(10)13)16(17)14(12)9-4-2-1-3-5-9/h1-7,10-16H,8H2/t10-,11?,12-,13+,14-,15+,16+/m0/s1
InChIKey OJCVSVGXONOPAW-UNMZNPLISA-N
Molecular Weight 236.314 g/mol
SMILES [C@@]12(C([C@]3([C@]4(C2C=C[C@]4([C@@]([C@@]1(c1ccccc1)[H])(C3)[H])[H])[H])[H])=O)[H]
SPLASH splash10-066u-0910000000-66b9db6061c420efd136
Source of Spectrum AJ-59-2817-12
Wiley ID 1239127