| SpectraBase Spectrum ID |
ytCTPB8TlQ |
| Name |
Dimethyl 2-methyl-5-phenylpyrrolidine-2,4-dicarboxylate |
| 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)12(16-15)10-7-5-4-6-8-10/h4-8,11-12,16H,9H2,1-3H3 |
| InChIKey |
VWJGICGANFKOEY-UHFFFAOYSA-N |
| SMILES |
C1(NC(C(C1)C(=O)OC)C=1C=CC=CC1)(C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8938 |