| SpectraBase Spectrum ID |
FpXkmChBkSj |
| Name |
(1S,4as,8as)-(5Z)-[2-(2'-Bromo-5'-methoxyphenyl)vinyl]-1-(T-butoxy)-8A-methyl-1,2,3,4,4A,5,8,8A-octahydronaphthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.166393301 u |
| Formula |
C24H33BrO2 |
| InChI |
InChI=1S/C24H33BrO2/c1-23(2,3)27-22-10-6-9-20-17(8-7-15-24(20,22)4)11-12-18-16-19(26-5)13-14-21(18)25/h7-8,11-14,16-17,20,22H,6,9-10,15H2,1-5H3/b12-11-/t17?,20-,22-,24-/m0/s1 |
| InChIKey |
XIQFZKBFRIWKNM-KWKXPSHNSA-N |
| Molecular Weight |
433.430 g/mol |
| SMILES |
[C@]12([C@](C(\C=C/C=3C(=CC=C(C3)OC)Br)C=CC1)(CCC[C@@]2(OC(C)(C)C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91069 |
![(1S,4aS,8aS)-(5Z)-[2-(2'-Bromo-5'-methoxyphenyl)vinyl]-1-(t-butoxy)-8a-methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene](/api/spectrum/FpXkmChBkSj/structure.png?h=300&w=458 "(1S,4aS,8aS)-(5Z)-[2-(2'-Bromo-5'-methoxyphenyl)vinyl]-1-(t-butoxy)-8a-methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene")
