| SpectraBase Spectrum ID |
AIAVOWE2HgD |
| Name |
(2S,4S,5R)-5-(4-Chloro-phenyl)-pyrrolidine-2,4-dicarboxylic acid 4-tert-butyl ester 2-isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.155036017 u |
| Formula |
C19H26ClNO4 |
| InChI |
InChI=1S/C19H26ClNO4/c1-11(2)24-18(23)15-10-14(17(22)25-19(3,4)5)16(21-15)12-6-8-13(20)9-7-12/h6-9,11,14-16,21H,10H2,1-5H3/t14-,15-,16-/m0/s1 |
| InChIKey |
MYHPWOJFJLUZKQ-JYJNAYRXSA-N |
| Molecular Weight |
367.873 g/mol |
| SMILES |
[C@@]1([C@@](N[C@@](C1)(C(OC(C)C)=O)[H])(C1=CC=C(C=C1)Cl)[H])(C(OC(C)(C)C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908201 |
