| SpectraBase Spectrum ID |
L19K2TOYnLl |
| Name |
Methyl 4-phenyl-N-(3-hydroxypropyl)-2-methyl-5-oxo-2-pyrrolin-3-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.131408092 u |
| Formula |
C16H19NO4 |
| InChI |
InChI=1S/C16H19NO4/c1-11-13(16(20)21-2)14(12-7-4-3-5-8-12)15(19)17(11)9-6-10-18/h3-5,7-8,14,18H,6,9-10H2,1-2H3 |
| InChIKey |
OYZZLMPEWNHSSI-UHFFFAOYSA-N |
| SMILES |
C1(=C(N(CCCO)C(C1C=1C=CC=CC1)=O)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830207 |