| SpectraBase Spectrum ID |
B56QCjfb5uF |
| Name |
(3R,3as,7S,7as)-3-Tert-butyloxy-3A-methyl-7(Z)-[2-(2-bromophenyl)vinyl]-2,3,3A,4,7,7A-hexahydro-1H-indene |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.140178553 u |
| Formula |
C22H29BrO |
| InChI |
InChI=1S/C22H29BrO/c1-21(2,3)24-20-14-13-18-16(9-7-15-22(18,20)4)11-12-17-8-5-6-10-19(17)23/h5-12,16,18,20H,13-15H2,1-4H3/b12-11-/t16-,18-,20-,22-/m0/s1 |
| InChIKey |
CJHVIULDINQKLP-ANGVJOKOSA-N |
| Molecular Weight |
389.377 g/mol |
| SMILES |
[C@]12([C@@](CC[C@@]2(OC(C)(C)C)[H])([C@@](\C=C/C=2C(Br)=CC=CC2)([H])C=CC1)[H])C |
![(3R,3aS,7S,7aS)-3-tert-Butyloxy-3a-methyl-7(Z)-[2-(2-bromophenyl)vinyl]-2,3,3a,4,7,7a-hexahydro-1H-indene](/api/spectrum/B56QCjfb5uF/structure.png?h=300&w=458 "(3R,3aS,7S,7aS)-3-tert-Butyloxy-3a-methyl-7(Z)-[2-(2-bromophenyl)vinyl]-2,3,3a,4,7,7a-hexahydro-1H-indene")
