| SpectraBase Spectrum ID |
5vp00694EB7 |
| Name |
(1R,2R)-2-[2-(4-Bromophenyl)-2-keto-ethyl]-5-keto-cyclopentanecarboxylic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.015371959 u |
| Formula |
C15H15BrO4 |
| InChI |
InChI=1S/C15H15BrO4/c1-20-15(19)14-10(4-7-12(14)17)8-13(18)9-2-5-11(16)6-3-9/h2-3,5-6,10,14H,4,7-8H2,1H3/t10-,14-/m1/s1 |
| InChIKey |
QNOBRIZRXDCHAY-QMTHXVAHSA-N |
| Molecular Weight |
339.185 g/mol |
| SMILES |
[C@@]1([C@@](CC(C2=CC=C(C=C2)Br)=O)(CCC1=O)[H])(C(=O)OC)[H] |
![(1R,2R)-2-[2-(4-bromophenyl)-2-keto-ethyl]-5-keto-cyclopentanecarboxylic acid methyl ester](/api/spectrum/5vp00694EB7/structure.png?h=300&w=458 "(1R,2R)-2-[2-(4-bromophenyl)-2-keto-ethyl]-5-keto-cyclopentanecarboxylic acid methyl ester")
