| SpectraBase Spectrum ID |
pbLNJhMCAX |
| Name |
N,N'-(5-Chloro-2,4-dimethoxy-m-phenylene)diacetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.072034667 u |
| Formula |
C12H15ClN2O4 |
| InChI |
InChI=1S/C12H15ClN2O4/c1-6(16)14-9-5-8(13)11(18-3)10(12(9)19-4)15-7(2)17/h5H,1-4H3,(H,14,16)(H,15,17) |
| InChIKey |
ITFUTDJGYLRUIR-UHFFFAOYSA-N |
| Molecular Weight |
286.715 g/mol |
| SMILES |
C1(=C(C(=C(C(=C1)Cl)OC)NC(C)=O)OC)NC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904608 |