| SpectraBase Spectrum ID |
AJA9zEHuXxB |
| Name |
1-Cyclobutene-1-propanamide, N-(4-chlorophenyl)-2-(diethylamino)-.beta.,4-dioxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.108420177 u |
| Formula |
C17H19ClN2O3 |
| InChI |
InChI=1S/C17H19ClN2O3/c1-3-20(4-2)13-9-14(21)17(13)15(22)10-16(23)19-12-7-5-11(18)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,19,23) |
| InChIKey |
XRQPFPQAHQQJFU-UHFFFAOYSA-N |
| Molecular Weight |
334.803 g/mol |
| SMILES |
C1(=C(N(CC)CC)CC1=O)C(CC(NC1=CC=C(C=C1)Cl)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956387 |
