| SpectraBase Spectrum ID |
IDmroGSaC88 |
| Name |
5-.alpha.-Acetyl-N-benzyl-.delat.-valerolactam |
| 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/c1-11(16)13-8-5-9-15(14(13)17)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3 |
| InChIKey |
OQEDNNFDOGJRQE-UHFFFAOYSA-N |
| Molecular Weight |
231.295 g/mol |
| SMILES |
C1(N(CC2=CC=CC=C2)CCCC1C(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969167 |
