| SpectraBase Spectrum ID |
CiHMWM9dcJA |
| Name |
5-Keto-2-phenethyl-3-pyrroline-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.173272904 u |
| Formula |
C20H25NO5 |
| InChI |
InChI=1S/C20H25NO5/c1-5-25-17(23)20(13-11-15-9-7-6-8-10-15)14-12-16(22)21(20)18(24)26-19(2,3)4/h6-10,12,14H,5,11,13H2,1-4H3 |
| InChIKey |
NULLNSWOOGXUAE-UHFFFAOYSA-N |
| Molecular Weight |
359.422 g/mol |
| SMILES |
C(N1C(C=CC1=O)(C(=O)OCC)CCC1=CC=CC=C1)(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856149 |
