| SpectraBase Spectrum ID |
AzpSxA0PNQG |
| Name |
Propanedioic acid, [(2-oxocyclohexyl)phenylmethyl]-, diethyl ester, [S-(R*,R*)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.178023932 u |
| Formula |
C20H26O5 |
| InChI |
InChI=1S/C20H26O5/c1-3-24-19(22)18(20(23)25-4-2)17(14-10-6-5-7-11-14)15-12-8-9-13-16(15)21/h5-7,10-11,15,17-18H,3-4,8-9,12-13H2,1-2H3/t15-,17+/m1/s1 |
| InChIKey |
XDPMGXBLENAVEC-WBVHZDCISA-N |
| Molecular Weight |
346.423 g/mol |
| SMILES |
C([C@]([C@]1(C(=O)CCCC1)[H])(C1=CC=CC=C1)[H])(C(=O)OCC)C(=O)OCC |
![Propanedioic acid, [(2-oxocyclohexyl)phenylmethyl]-, diethyl ester, [S-(R*,R*)]-](/api/spectrum/AzpSxA0PNQG/structure.png?h=300&w=458 "Propanedioic acid, [(2-oxocyclohexyl)phenylmethyl]-, diethyl ester, [S-(R*,R*)]-")
