| SpectraBase Spectrum ID |
L8qwDFcu4Aq |
| Name |
(2S,4S,5R)-5-(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 |
333.194008349 u |
| Formula |
C19H27NO4 |
| InChI |
InChI=1S/C19H27NO4/c1-12(2)23-18(22)15-11-14(17(21)24-19(3,4)5)16(20-15)13-9-7-6-8-10-13/h6-10,12,14-16,20H,11H2,1-5H3/t14-,15-,16-/m0/s1 |
| InChIKey |
IDJXONUPJPTOGU-JYJNAYRXSA-N |
| Molecular Weight |
333.428 g/mol |
| SMILES |
[C@@]1([C@@](N[C@@](C1)(C(OC(C)C)=O)[H])(C1=CC=CC=C1)[H])(C(OC(C)(C)C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94474 |
