| SpectraBase Spectrum ID |
E4jhU0933lO |
| Name |
N,N'-bis(5-Chloro-2-methylphenyl)butanediamide, 2me derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.105833354 u |
| Formula |
C20H22Cl2N2O2 |
| InChI |
InChI=1S/C20H22Cl2N2O2/c1-13-5-7-15(21)11-17(13)23(3)19(25)9-10-20(26)24(4)18-12-16(22)8-6-14(18)2/h5-8,11-12H,9-10H2,1-4H3 |
| InChIKey |
CDXHJZHSTCDNJF-UHFFFAOYSA-N |
| Molecular Weight |
393.314 g/mol |
| SMILES |
C1(Cl)=CC(=C(C=C1)C)N(C(=O)CCC(=O)N(C1=C(C=CC(=C1)Cl)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858362 |
