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1,2,4-Ethanylylidenecyclobut[cd]inden-5(1H)-one, octahydro-, (.+-.)-
SpectraBase Compound ID 7c3prGrIg1U
InChI InChI=1S/C12H14O/c13-9-3-7-5-1-4-6-2-8(10(4)9)12(7)11(5)6/h4-8,10-12H,1-3H2/t4-,5-,6-,7+,8+,10-,11+,12-/m0/s1
InChIKey NTCHWWQNBFEGCB-OQXSACMFSA-N
Mol Weight 174.24 g/mol
Molecular Formula C12H14O
Exact Mass 174.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEsVbWbgVmw
Name 1,2,4-Ethanylylidenecyclobut[cd]inden-5(1H)-one, octahydro-, (.+-.)-
Alternate Name(s) 3-Oxopentacyclo[5.5.0.0(4,11).0(5,9).0(8,12)]dodecane Pentacyclo[5.5.0.0(4,11).0(5,9).0(8,12)]dodecan-3-one
CAS Registry Number 127333-28-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O
InChI InChI=1S/C12H14O/c13-9-3-7-5-1-4-6-2-8(10(4)9)12(7)11(5)6/h4-8,10-12H,1-3H2/t4-,5-,6-,7+,8+,10-,11+,12-/m0/s1
InChIKey NTCHWWQNBFEGCB-OQXSACMFSA-N
Molecular Weight 174.243 g/mol
SMILES [C@]12([C@@]3([C@]4([C@@]5([C@]([C@@]2(C4)[H])(C[C@]1([C@]3(CC5=O)[H])[H])[H])[H])[H])[H])[H]
SPLASH splash10-0a4i-5900000000-c0b37abe004da49cd52f
Source of Spectrum J-55-3497-18
Wiley ID 1171050