| SpectraBase Spectrum ID |
Hs0fYiFJ0OF |
| Name |
2,4-Pyrrolidinedicarboxylic acid, 4-methyl-5-phenyl-, dimethyl ester, (2.alpha.,4.alpha.,5.alpha.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.131408092 u |
| Formula |
C15H19NO4 |
| InChI |
InChI=1S/C15H19NO4/c1-15(14(18)20-3)9-11(13(17)19-2)16-12(15)10-7-5-4-6-8-10/h4-8,11-12,16H,9H2,1-3H3/t11-,12-,15-/m0/s1 |
| InChIKey |
BPSKBWVSAVZJKR-HUBLWGQQSA-N |
| SMILES |
[C@@]1([C@@](N[C@@](C1)(C(=O)OC)[H])(C1=CC=CC=C1)[H])(C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971335 |
