| SpectraBase Spectrum ID |
EbzP21vtEv0 |
| Name |
2,4-Pyrrolidinedicarboxylic acid, 5-phenyl-, dimethyl ester, (2.alpha.,4.beta.,5.alpha.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.115758027 u |
| Formula |
C14H17NO4 |
| InChI |
InChI=1S/C14H17NO4/c1-18-13(16)10-8-11(14(17)19-2)15-12(10)9-6-4-3-5-7-9/h3-7,10-12,15H,8H2,1-2H3/t10-,11+,12+/m1/s1 |
| InChIKey |
NMNIEPQUYRVLNX-WOPDTQHZSA-N |
| Molecular Weight |
263.293 g/mol |
| SMILES |
[C@]1([C@@](N[C@@](C1)(C(=O)OC)[H])(C=1C=CC=CC1)[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887224 |
