| SpectraBase Spectrum ID |
ItmXUGjpc29 |
| Name |
(3R,4S)-1-Benzyl-2-keto-4-vinyl-pyrrolidine-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.110613078 u |
| Formula |
C14H14N2O |
| InChI |
InChI=1S/C14H14N2O/c1-2-12-10-16(14(17)13(12)8-15)9-11-6-4-3-5-7-11/h2-7,12-13H,1,9-10H2/t12-,13+/m1/s1 |
| InChIKey |
KCZYOIZAYRCPKU-OLZOCXBDSA-N |
| Molecular Weight |
226.279 g/mol |
| SMILES |
C1(N(C[C@]([C@@]1(C#N)[H])(C=C)[H])CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937033 |
