| SpectraBase Spectrum ID |
LXshqNCyFMs |
| Name |
(2R,4R,5S)-5-Phenylpyrrolidine-2,4-dicarboxylic acid O4-ethyl ester O2-isopropyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.162708221 u |
| Formula |
C17H23NO4 |
| InChI |
InChI=1S/C17H23NO4/c1-4-21-16(19)13-10-14(17(20)22-11(2)3)18-15(13)12-8-6-5-7-9-12/h5-9,11,13-15,18H,4,10H2,1-3H3/t13-,14-,15-/m1/s1 |
| InChIKey |
FDIHCGVLWARKSY-RBSFLKMASA-N |
| SMILES |
[C@]1([C@](N[C@](C1)(C(OC(C)C)=O)[H])(C=1C=CC=CC1)[H])(C(=O)OCC)[H] |
