| SpectraBase Spectrum ID |
KjmbrzKrOG8 |
| Name |
(2R,3R)-N-(Benzo[D][1,3]dioxol-5-ylmethyl)-3-cyano-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.137556100 u |
| Formula |
C21H19N3O4 |
| InChI |
InChI=1S/C21H19N3O4/c1-24-18(25)10-21(12-22,19(24)15-5-3-2-4-6-15)20(26)23-11-14-7-8-16-17(9-14)28-13-27-16/h2-9,19H,10-11,13H2,1H3,(H,23,26)/t19-,21+/m1/s1 |
| InChIKey |
BPPLODOWRFESFA-CTNGQTDRSA-N |
| Molecular Weight |
377.400 g/mol |
| SMILES |
[C@]1(N(C(C[C@]1(C(=O)NCC1=CC=C2OCOC2=C1)C#N)=O)C)(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950974 |
![(2R,3R)-N-(Benzo[D][1,3]dioxol-5-ylmethyl)-3-cyano-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide](/api/spectrum/KjmbrzKrOG8/structure.png?h=300&w=458 "(2R,3R)-N-(Benzo[D][1,3]dioxol-5-ylmethyl)-3-cyano-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide")
