| SpectraBase Spectrum ID |
KtjPmukpdrX |
| Name |
2-Pyrrolidinone, 1-acetyl-4-methyl-5,5-bis(phenylmethyl)-, (.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.172878983 u |
| Formula |
C21H23NO2 |
| InChI |
InChI=1S/C21H23NO2/c1-16-13-20(24)22(17(2)23)21(16,14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,16H,13-15H2,1-2H3 |
| InChIKey |
XHIAFRWFJPQWBZ-UHFFFAOYSA-N |
| Molecular Weight |
321.420 g/mol |
| SMILES |
C1(N(C(CC1C)=O)C(=O)C)(CC1=CC=CC=C1)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950317 |
