| SpectraBase Spectrum ID |
INZRZy7nQK8 |
| Name |
Propanedioic acid, [(2-oxocyclohexyl)phenylmethyl]-, diethyl ester, [S-(R*,R*)]- |
| Alternate Name(s) |
diethyl 2-[(S)-[(1S)-2-oxocyclohexyl](phenyl)methyl]malonate
Diethylester of (-)-(1'S,1'',S)-[(2-oxocyclohexyl)phenylmethyl]propandicarboxylic acid
Diethylester of (-)-(1'S,1'',S)-[(2-Oxocyclohexyl)phenylmethyl]propandicarboxylic acid |
| CAS Registry Number |
86661-22-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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])(c1ccccc1)[H])(C(=O)OCC)C(=O)OCC |
| SPLASH |
splash10-000i-0900000000-a0d71710fc2a698d4543 |
| Source of Spectrum |
K-116-2255-0 |
| Wiley ID |
1339372 |
![Propanedioic acid, [(2-oxocyclohexyl)phenylmethyl]-, diethyl ester, [S-(R*,R*)]-](/api/spectrum/INZRZy7nQK8/structure.png?h=300&w=458 "Propanedioic acid, [(2-oxocyclohexyl)phenylmethyl]-, diethyl ester, [S-(R*,R*)]-")
