| SpectraBase Spectrum ID |
KX0kPUI0IHj |
| Name |
(2R,5S)-5-(4-Methoxyphenyl)-2-phenyl-3-pyrroline-2,4-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.141972775 u |
| Formula |
C21H21NO5 |
| InChI |
InChI=1S/C21H21NO5/c1-25-16-11-9-14(10-12-16)18-17(19(23)26-2)13-21(22-18,20(24)27-3)15-7-5-4-6-8-15/h4-13,18,22H,1-3H3/t18-,21+/m0/s1 |
| InChIKey |
MOAWYJJTCGQSLV-GHTZIAJQSA-N |
| Molecular Weight |
367.401 g/mol |
| SMILES |
C1(=C[C@](C(=O)OC)(C2=CC=CC=C2)N[C@]1(C=1C=CC(=CC1)OC)[H])C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939041 |
