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1,3,4,6-Ethanediylidenedicyclopenta[cd,gh]pentalene, ethanone deriv.
SpectraBase Compound ID B2sXM8e7OKc
InChI InChI=1S/C16H18O/c1-4(17)16-8-3-7-10-9-5-2-6(12(9)15(7)16)14(16)11(5)13(8)10/h5-15H,2-3H2,1H3/t5-,6+,7+,8+,9+,10-,11-,12+,13-,14-,15-,16+/m0/s1
InChIKey KVPUIACQLANTSO-KGSWFJAMSA-N
Mol Weight 226.32 g/mol
Molecular Formula C16H18O
Exact Mass 226.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNCwmRd3LN4
Name 1,3,4,6-Ethanediylidenedicyclopenta[cd,gh]pentalene, ethanone deriv.
CAS Registry Number 126664-83-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O
InChI InChI=1S/C16H18O/c1-4(17)16-8-3-7-10-9-5-2-6(12(9)15(7)16)14(16)11(5)13(8)10/h5-15H,2-3H2,1H3/t5-,6+,7+,8+,9+,10-,11-,12+,13-,14-,15-,16+/m0/s1
InChIKey KVPUIACQLANTSO-KGSWFJAMSA-N
Molecular Weight 226.319 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])C(=O)C
SPLASH splash10-01q9-0950000000-423751722619bf9740fc
Source of Spectrum C-112-3672-2
Synonyms Ethanone, 1-(decahydro-1,3,4,6-ethanediylidenedicyclopenta[cd,gh]pen talen-3(1H)-yl)- 1-Acetylheptacyclo[6.6.0.0(2,6).0(3,13).0(4,11).0(5,9).0(10,14)]tetradecane 1-Heptacyclo[6.6.0.0(2,6).0(3,13).0(4,11).0(5,9).0(10,14)]tetradec-1-ylethanone
Wiley ID 1228225