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hexacyclo[8.6.1.1(4,7).0(2,9).0(3,8).0(11,16)]octadecan-5,11,13,15-tetraene
SpectraBase Compound ID 38cpML6cKbv
InChI InChI=1S/C18H18/c1-2-4-12-11(3-1)13-8-14(12)18-16-10-6-5-9(7-10)15(16)17(13)18/h1-6,9-10,13-18H,7-8H2/t9-,10+,13+,14-,15?,16?,17-,18-/m0/s1
InChIKey WVQLRNPJNLVOQC-AOOXAKPZSA-N
Mol Weight 234.34 g/mol
Molecular Formula C18H18
Exact Mass 234.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZwNbQYFW30
Name hexacyclo[8.6.1.1(4,7).0(2,9).0(3,8).0(11,16)]octadecan-5,11,13,15-tetraene
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18
InChI InChI=1S/C18H18/c1-2-4-12-11(3-1)13-8-14(12)18-16-10-6-5-9(7-10)15(16)17(13)18/h1-6,9-10,13-18H,7-8H2/t9-,10+,13+,14-,15?,16?,17-,18-/m0/s1
InChIKey WVQLRNPJNLVOQC-AOOXAKPZSA-N
Instrument Name VG70-250S
Ionization Type EI
Literature Reference DOI 10.1002/jccs.202100205
Molecular Weight 234.342 g/mol
SMILES c12[C@]3(C[C@@](c2cccc1)([C@@]1([C@@]3(C2[C@@]3(C[C@@](C=C3)(C12)[H])[H])[H])[H])[H])[H]
SPLASH splash10-014i-0930000000-e671bd0e08f326d6c7b8
Source of Spectrum QA-68-2219-NB11
Wiley ID 1871878