| SpectraBase Spectrum ID |
2WZYCUe94qn |
| Name |
(1S,2R)-2-[2-(4-Bromophenyl)-2-keto-ethyl]cyclohexanecarboxylic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.051757469 u |
| Formula |
C16H19BrO3 |
| InChI |
InChI=1S/C16H19BrO3/c1-20-16(19)14-5-3-2-4-12(14)10-15(18)11-6-8-13(17)9-7-11/h6-9,12,14H,2-5,10H2,1H3/t12-,14+/m1/s1 |
| InChIKey |
PGAZNLSJCCNWCR-OCCSQVGLSA-N |
| Molecular Weight |
339.229 g/mol |
| SMILES |
C([C@@]1([C@@](CC(C2=CC=C(C=C2)Br)=O)(CCCC1)[H])[H])(=O)OC |
![(1S,2R)-2-[2-(4-bromophenyl)-2-keto-ethyl]cyclohexanecarboxylic acid methyl ester](/api/spectrum/2WZYCUe94qn/structure.png?h=300&w=458 "(1S,2R)-2-[2-(4-bromophenyl)-2-keto-ethyl]cyclohexanecarboxylic acid methyl ester")
