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5,10:6,9-Dimethanobenzo[b]biphenylene, 4b,5,5a,6,9,9a,10,10a-octahydro-, (4a.alpha.,5.alpha.,5a.beta.,6.beta.,9.beta.,9a.beta.,10.alpha.,10a.alpha.)-
SpectraBase Compound ID 2sXh1lBqCCF
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+/m0/s1
InChIKey ITEFREWJBMPQOT-AXFZUHQCSA-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 CUr5aKygTTr
Name 5,10:6,9-Dimethanobenzo[b]biphenylene, 4b,5,5a,6,9,9a,10,10a-octahydro-, (4a.alpha.,5.alpha.,5a.beta.,6.beta.,9.beta.,9a.beta.,10.alpha.,10a.alpha.)-
CAS Registry Number 72243-83-5
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+/m0/s1
InChIKey ITEFREWJBMPQOT-AXFZUHQCSA-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])c2c1cccc2)[H]
SPLASH splash10-014i-0900000000-7a57d758e049e60d0adb
Source of Spectrum C-102-675-0
Synonyms (1S,2R,10S,11S,12R,15R,16R)-hexacyclo[8.6.1.1(12,15).0(2,9).0(3,8).0(11,16)]octadeca-3,5,7,13-tetraene endo,exo,endo-1,4,4a,5,5a,9b,10,10a-octahydro-1,4:5,10-dimethanobenzobiphenylene endo,exo,exo-1,4,4a,5,5a,9b,10,10a-octahydro-1,4:5,10-dimethanobenzobiphenylene
Wiley ID 1236736