| SpectraBase Spectrum ID |
E6mVUC0rBED |
| Name |
(3,4-Trans)-3-acetyl-1-benzyl-4-vinylpyrrolidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.125928789 u |
| Formula |
C15H17NO2 |
| InChI |
InChI=1S/C15H17NO2/c1-3-13-10-16(15(18)14(13)11(2)17)9-12-7-5-4-6-8-12/h3-8,13-14H,1,9-10H2,2H3/t13-,14+/m0/s1 |
| InChIKey |
PIKYLMZOEUHECW-UONOGXRCSA-N |
| Molecular Weight |
243.306 g/mol |
| SMILES |
C1(N(C[C@@]([C@]1(C(=O)C)[H])(C=C)[H])CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834102 |
