| SpectraBase Spectrum ID |
1AXhVF3Mnc8 |
| Name |
Benzoic acid, 4-bromo-, 1-methyl-1-[2-(1,2,6-trimethyl-2-cyclohexen-1-yl)ethyl]-2-propenyl ester, [1S-[1.alpha.(S*),6.beta.]]- |
| CAS Registry Number |
86176-41-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H29BrO2 |
| InChI |
InChI=1S/C22H29BrO2/c1-6-21(4,25-20(24)18-10-12-19(23)13-11-18)14-15-22(5)16(2)8-7-9-17(22)3/h6,8,10-13,17H,1,7,9,14-15H2,2-5H3/t17?,21-,22+/m1/s1 |
| InChIKey |
XLVQTTIKDGUWJZ-RRNUJPESSA-N |
| Molecular Weight |
405.376 g/mol |
| SMILES |
[C@]1(C(=CCCC1C)C)(CC[C@](OC(c1ccc(cc1)Br)=O)(C=C)C)C |
| SPLASH |
splash10-008i-0900000000-03debff382e9322bcbbe |
| Source of Spectrum |
AJ-56-1130-2 |
| Synonyms |
(1S)-1-methyl-1-{2-[(1R)-1,2,6-trimethyl-2-cyclohexen-1-yl]ethyl}-2-propenyl 4-bromobenzoate
2,3,4-Trimthyl-3-(3-(p-bromobenzoyl)-3-methyl-4-pentenyl)cyclohexene |
| Wiley ID |
1371302 |
![Benzoic acid, 4-bromo-, 1-methyl-1-[2-(1,2,6-trimethyl-2-cyclohexen-1-yl)ethyl]-2-propenyl ester, [1S-[1.alpha.(S*),6.beta.]]-](/api/spectrum/1AXhVF3Mnc8/structure.png?h=300&w=458 "Benzoic acid, 4-bromo-, 1-methyl-1-[2-(1,2,6-trimethyl-2-cyclohexen-1-yl)ethyl]-2-propenyl ester, [1S-[1.alpha.(S*),6.beta.]]-")
