| SpectraBase Spectrum ID |
JOeMqVgaWcA |
| 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 |
| 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+/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-0900000000-828aa1debbbf03127d0a |
| 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 |
1236737 |
![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.)-](/api/spectrum/JOeMqVgaWcA/structure.png?h=300&w=458 "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.)-")
