SpectraBase Spectrum ID |
39cKp1Ip0Vq |
Name |
5-(1-Phenylethylamino)pyrrolidin-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
204.126263142 u |
Formula |
C12H16N2O |
InChI |
InChI=1S/C12H16N2O/c1-9(10-5-3-2-4-6-10)13-11-7-8-12(15)14-11/h2-6,9,11,13H,7-8H2,1H3,(H,14,15) |
InChIKey |
VLRXZLNKHIYAPA-UHFFFAOYSA-N |
Molecular Weight |
204.273 g/mol |
SMILES |
C1(NC(NC(C)C2=CC=CC=C2)CC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948313 |