SpectraBase Spectrum ID |
2v8tSBlrI40 |
Name |
N-Benzyl-2-(2-oxocyclopentyl)acetamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
231.125928789 u |
Formula |
C14H17NO2 |
InChI |
InChI=1S/C14H17NO2/c16-13-8-4-7-12(13)9-14(17)15-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,17) |
InChIKey |
MFYWNTQGPNVYAL-UHFFFAOYSA-N |
Molecular Weight |
231.295 g/mol |
SMILES |
C1CC(C(CC(NCC2=CC=CC=C2)=O)C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827043 |