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5,10:6,9-Dimethanobenzo[b]biphenylene, 4b,5,5a,6,7,8,9,9a,10,10a-decahydro-, (4b.alpha.,5.beta.,5a.alpha.,6.alpha.,9.alpha.,9a.alpha.,10.beta.,10a.alpha.)-
SpectraBase Compound ID EMvDtAICUCn
InChI InChI=1S/C18H20/c1-2-4-12-11(3-1)17-13-8-14(18(12)17)16-10-6-5-9(7-10)15(13)16/h1-4,9-10,13-18H,5-8H2/t9-,10+,13-,14+,15+,16-,17-,18+
InChIKey PJXRWKGGTQJOIQ-PPRXOXFPSA-N
Mol Weight 236.36 g/mol
Molecular Formula C18H20
Exact Mass 236.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GoHQxra1Bu6
Name 5,10:6,9-Dimethanobenzo[b]biphenylene, 4b,5,5a,6,7,8,9,9a,10,10a-decahydro-, (4b.alpha.,5.beta.,5a.alpha.,6.alpha.,9.alpha.,9a.alpha.,10.beta.,10a.alpha.)-
CAS Registry Number 72183-31-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20
InChI InChI=1S/C18H20/c1-2-4-12-11(3-1)17-13-8-14(18(12)17)16-10-6-5-9(7-10)15(13)16/h1-4,9-10,13-18H,5-8H2/t9-,10+,13-,14+,15+,16-,17-,18+
InChIKey PJXRWKGGTQJOIQ-PPRXOXFPSA-N
Molecular Weight 236.358 g/mol
SMILES [C@@]12([C@]([C@]3([H])C[C@]2([C@@]2([C@]3([C@@]3([H])C[C@@]2(CC3)[H])[H])[H])[H])([H])c2c1cccc2)[H]
SPLASH splash10-004i-3900000000-b9ccd3f9ddd3cba7d7fa
Source of Spectrum C-102-675-0
Synonyms (1R,2R,9S,10S,11R,12S,15R,16S)-hexacyclo[8.6.1.1(12,15).0(2,9).0(3,8).0(11,16)]octadeca-3,5,7-triene endo,exo,endo-1,2,3,4,4a,5,5a,9b,10,10a-decahydro-1,4:5,10-dimethanobenzobiphenylene
Wiley ID 1239188