| SpectraBase Spectrum ID |
KLDT0wZptdQ |
| Name |
4,4-Diethyl-2,3-dihydro-2-benzazepine-1,5-dione |
| 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/c1-3-14(4-2)9-15-13(17)11-8-6-5-7-10(11)12(14)16/h5-8H,3-4,9H2,1-2H3,(H,15,17) |
| InChIKey |
LLQLKFGCORCUNJ-UHFFFAOYSA-N |
| Molecular Weight |
231.295 g/mol |
| SMILES |
C1(C=2C(C(=O)NCC1(CC)CC)=CC=CC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857172 |
