| SpectraBase Spectrum ID |
8ou4Xvtpzhu |
| Name |
1,4:5,8-Diethenobenzo[3,4]cyclobuta[1,2-a]cyclopropa[c]cycloheptene, 1,1a,4,4a,4b,5,8,8a,8b,8c-decahydro-, labeled with deuterium, (1.alpha.,1a.beta.,4.alpha.,4a.beta.,4b.alpha.,5.beta.,8.beta.,8a.alpha.,8b.beta.,8c.beta.)- |
| CAS Registry Number |
67790-50-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H17D |
| InChI |
InChI=1S/C18H18/c1-3-10-4-2-9(1)14-15(10)18-16(14)11-5-7-12-13(8-6-11)17(12)18/h1-18H/t9-,10+,11-,12-,13+,14-,15-,16+,17-,18-/m1/s1/i1D |
| InChIKey |
MFDMOFOUVPINDU-KHNYHFTISA-N |
| Molecular Weight |
235.348 g/mol |
| SMILES |
[C@]12([C@@]3(C=C[C@@]([C@@]4([C@]2([C@]2([C@]4([C@@]4(C([2D])=C[C@]2(C=C4)[H])[H])[H])[H])[H])[H])(C=C[C@]13[H])[H])[H])[H] |
| SPLASH |
splash10-0019-0090000000-21fd5aedf4197bf3ca0f |
| Source of Spectrum |
K-111-2890-0 |
| Synonyms |
(5(6)-D1)hexacyclo[9.3.2.2(4,7).0(2,9).0(3,8).0(10,12)]octadeca-5,13,15,17-tetraene |
| Wiley ID |
1236797 |
![1,4:5,8-Diethenobenzo[3,4]cyclobuta[1,2-a]cyclopropa[c]cycloheptene, 1,1a,4,4a,4b,5,8,8a,8b,8c-decahydro-, labeled with deuterium, (1.alpha.,1a.beta.,4.alpha.,4a.beta.,4b.alpha.,5.beta.,8.beta.,8a.alpha.,8b.beta.,8c.beta.)-](/api/spectrum/8ou4Xvtpzhu/structure.png?h=300&w=458 "1,4:5,8-Diethenobenzo[3,4]cyclobuta[1,2-a]cyclopropa[c]cycloheptene, 1,1a,4,4a,4b,5,8,8a,8b,8c-decahydro-, labeled with deuterium, (1.alpha.,1a.beta.,4.alpha.,4a.beta.,4b.alpha.,5.beta.,8.beta.,8a.alpha.,8b.beta.,8c.beta.)-")
