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1,3,4,6-Ethanediylidenedicyclopenta[cd,gh]pentalene, 2-butanone deriv.
SpectraBase Compound ID 8VFnRqhElcR
InChI InChI=1S/C18H22O/c1-6(19)2-3-18-10-5-9-12-11-7-4-8(14(11)17(9)18)16(18)13(7)15(10)12/h7-17H,2-5H2,1H3/t7-,8+,9+,10+,11+,12-,13-,14+,15-,16-,17-,18+/m1/s1
InChIKey FVVNGBLFDNKGCQ-YZRYDYHTSA-N
Mol Weight 254.37 g/mol
Molecular Formula C18H22O
Exact Mass 254.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gxy6Tib3mKr
Name 1,3,4,6-Ethanediylidenedicyclopenta[cd,gh]pentalene, 2-butanone deriv.
CAS Registry Number 126664-85-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O
InChI InChI=1S/C18H22O/c1-6(19)2-3-18-10-5-9-12-11-7-4-8(14(11)17(9)18)16(18)13(7)15(10)12/h7-17H,2-5H2,1H3/t7-,8+,9+,10+,11+,12-,13-,14+,15-,16-,17-,18+/m1/s1
InChIKey FVVNGBLFDNKGCQ-YZRYDYHTSA-N
Molecular Weight 254.373 g/mol
SMILES [C@@]12([C@]3([C@@]4([C@@]5(C[C@]3([C@@]3([C@]1([C@]1(C[C@]2([C@@]4([C@]1([C@]53[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])CCC(=O)C
SPLASH splash10-03dr-0190000000-7927dd8106bf4414b900
Source of Spectrum C-112-3673-4
Synonyms 2-Butanone, 4-(decahydro-1,3,4,6-ethanediylidenedicyclopenta[cd,gh]p entalen-3(1H)-yl)- 1-(acetylethyl)heptacyclo[6.6.0.0(2,6).0(3,13).0(4,11).0(5,9).0(10,14)]tetradecane 4-Heptacyclo[6.6.0.0(2,6).0(3,13).0(4,11).0(5,9).0(10,14)]tetradec-1-yl-2-butanone
Wiley ID 1258393