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5,10:6,9-Dimethanobenzo[b]biphenylene, 1,4,4b,5,5a,6,7,8,9,9a,10,10a-dodecahydro-, (4b.alpha.,5.beta.,5a.alpha.,6.alpha.,9.alpha.,9a.alpha.,10.beta.,10a.alpha.)-
SpectraBase Compound ID 2pb7ClB5VcV
InChI InChI=1S/C18H22/c1-2-4-12-11(3-1)17-13-8-14(18(12)17)16-10-6-5-9(7-10)15(13)16/h1-2,9-10,13-18H,3-8H2/t9-,10+,13-,14+,15+,16-,17-,18+
InChIKey XTOOAXSOUSDVNJ-PPRXOXFPSA-N
Mol Weight 238.37 g/mol
Molecular Formula C18H22
Exact Mass 238.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fhyls0S78en
Name 5,10:6,9-Dimethanobenzo[b]biphenylene, 1,4,4b,5,5a,6,7,8,9,9a,10,10a-dodecahydro-, (4b.alpha.,5.beta.,5a.alpha.,6.alpha.,9.alpha.,9a.alpha.,10.beta.,10a.alpha.)-
CAS Registry Number 72188-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22
InChI InChI=1S/C18H22/c1-2-4-12-11(3-1)17-13-8-14(18(12)17)16-10-6-5-9(7-10)15(13)16/h1-2,9-10,13-18H,3-8H2/t9-,10+,13-,14+,15+,16-,17-,18+
InChIKey XTOOAXSOUSDVNJ-PPRXOXFPSA-N
Molecular Weight 238.374 g/mol
SMILES C12=C(CC=CC2)[C@]2([C@@]1([C@@]1([C@@]3([C@]([C@@]4([H])C[C@@]3(CC4)[H])([H])[C@@]2([H])C1)[H])[H])[H])[H]
SPLASH splash10-002f-2900000000-731c13883bc7b54c8734
Source of Spectrum C-102-676-0
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(8),5-diene endo,exo,endo-1,2,3,4,4a,5,5a,6a,9,9b,10,10a-dodecahydro-1,4:5,10-dimethanobenzobiphenylene
Wiley ID 1241600