| SpectraBase Spectrum ID |
KZPyTkkM23E |
| Name |
N-Butyryl-N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)butyramide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.092435760 u |
| Formula |
C18H18ClNO4 |
| InChI |
InChI=1S/C18H18ClNO4/c1-3-7-13(21)20(14(22)8-4-2)16-15(19)17(23)11-9-5-6-10-12(11)18(16)24/h5-6,9-10H,3-4,7-8H2,1-2H3 |
| InChIKey |
KIHGVJLEFGJROI-UHFFFAOYSA-N |
| Molecular Weight |
347.798 g/mol |
| SMILES |
C(CCC)(=O)N(C=1C(C2=C(C=CC=C2)C(C1Cl)=O)=O)C(=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959138 |
