SpectraBase Spectrum ID |
LeXly3CRaJk |
Name |
N-(1,3-Benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide, N-methyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
381.053463427 u |
Formula |
C18H17Cl2NO4 |
InChI |
InChI=1S/C18H17Cl2NO4/c1-11(25-15-6-4-13(19)8-14(15)20)18(22)21(2)9-12-3-5-16-17(7-12)24-10-23-16/h3-8,11H,9-10H2,1-2H3 |
InChIKey |
BBZVYEIAQMCJPF-UHFFFAOYSA-N |
Molecular Weight |
382.243 g/mol |
SMILES |
C(N(C(C(OC1=C(Cl)C=C(C=C1)Cl)C)=O)C)C1=CC2=C(C=C1)OCO2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867891 |