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5,10:6,9-Dimethanobenzo[b]biphenylene, 4b,5,5a,6,9,9a,10,10a-octahydro-, (4b.alpha.,5.beta.,5a.alpha.,6.alpha.,9.alpha.,9a.alpha.,10.beta.,10a.alpha.)-
SpectraBase Compound ID mKTjsxyDt4
InChI InChI=1S/C18H18/c1-2-4-12-11(3-1)17-13-8-14(18(12)17)16-10-6-5-9(7-10)15(13)16/h1-6,9-10,13-18H,7-8H2/t9-,10+,13-,14+,15+,16-,17-,18+
InChIKey ITEFREWJBMPQOT-PPRXOXFPSA-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 CwJUY2ZFFwb
Name 5,10:6,9-Dimethanobenzo[b]biphenylene, 4b,5,5a,6,9,9a,10,10a-octahydro-, (4b.alpha.,5.beta.,5a.alpha.,6.alpha.,9.alpha.,9a.alpha.,10.beta.,10a.alpha.)-
CAS Registry Number 72183-29-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18
InChI InChI=1S/C18H18/c1-2-4-12-11(3-1)17-13-8-14(18(12)17)16-10-6-5-9(7-10)15(13)16/h1-6,9-10,13-18H,7-8H2/t9-,10+,13-,14+,15+,16-,17-,18+
InChIKey ITEFREWJBMPQOT-PPRXOXFPSA-N
Molecular Weight 234.342 g/mol
SMILES [C@@]12([C@]([C@]3([H])C[C@]2([C@@]2([C@]3([C@@]3([H])C[C@@]2(C=C3)[H])[H])[H])[H])([H])c2c1cccc2)[H]
SPLASH splash10-014i-0900000000-828aa1debbbf03127d0a
Source of Spectrum C-102-675-0
Synonyms (1R,2R,9S,10S,11R,12R,15S,16S)-hexacyclo[8.6.1.1(12,15).0(2,9).0(3,8).0(11,16)]octadeca-3,5,7,13-tetraene endo,exo,exo-1,4,4a,5,5a,9b,10,10a-octahydro-1,4:5,10-dimethanobenzobiphenylene
Wiley ID 1236738