| SpectraBase Spectrum ID |
LDl80bD14eX |
| Name |
(-)-methyl (E)-5-(2R,3S)-3-(4-bromobenzoyloxy-2-methyl-1-oxocyclohexyl]-2-pentenoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.072886836 u |
| Formula |
C20H23BrO5 |
| InChI |
InChI=1S/C20H23BrO5/c1-20(13-4-3-8-18(23)25-2)16(22)6-5-7-17(20)26-19(24)14-9-11-15(21)12-10-14/h3,8-12,17H,4-7,13H2,1-2H3/b8-3+/t17-,20-/m0/s1 |
| InChIKey |
QNOALHOZGYIHQS-NXVGBVMPSA-N |
| Molecular Weight |
423.303 g/mol |
| SMILES |
[C@@]1([C@@](OC(C2=CC=C(C=C2)Br)=O)(CCCC1=O)[H])(CC\C=C\C(=O)OC)C |
![(-)-methyl (E)-5-(2R,3S)-3-(4-bromobenzoyloxy-2-methyl-1-oxocyclohexyl]-2-pentenoate](/api/spectrum/LDl80bD14eX/structure.png?h=300&w=458 "(-)-methyl (E)-5-(2R,3S)-3-(4-bromobenzoyloxy-2-methyl-1-oxocyclohexyl]-2-pentenoate")
