| SpectraBase Spectrum ID |
KmmL9e7gv5M |
| Name |
(3R,4R)-2-Phenyl-1-pyrroline-3,4-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.100107963 u |
| Formula |
C14H15NO4 |
| InChI |
InChI=1S/C14H15NO4/c1-18-13(16)10-8-15-12(11(10)14(17)19-2)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3/t10-,11+/m0/s1 |
| InChIKey |
DPDJJZKGWOSKQL-WDEREUQCSA-N |
| SMILES |
[C@@]1([C@](CN=C1C=1C=CC=CC1)(C(=O)OC)[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985853 |
