| SpectraBase Spectrum ID |
2Sls44Oxlk5 |
| Name |
Diethyl 2-acetamido-2-(2,6-dichloro-4-methoxybenzyl)-malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.074592794 u |
| Formula |
C17H21Cl2NO6 |
| InChI |
InChI=1S/C17H21Cl2NO6/c1-5-25-15(22)17(20-10(3)21,16(23)26-6-2)9-12-13(18)7-11(24-4)8-14(12)19/h7-8H,5-6,9H2,1-4H3,(H,20,21) |
| InChIKey |
BLJJMLAFASJVFY-UHFFFAOYSA-N |
| Molecular Weight |
406.262 g/mol |
| SMILES |
C(CC1=C(C=C(C=C1Cl)OC)Cl)(C(=O)OCC)(C(=O)OCC)NC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8092 |
