| SpectraBase Spectrum ID |
JCb9kyMPPTX |
| Name |
4,4'-Methylenedicarbanilic acid, bis(2-chloroethyl)ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.080012528 u |
| Formula |
C19H20Cl2N2O4 |
| InChI |
InChI=1S/C19H20Cl2N2O4/c20-9-11-26-18(24)22-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-19(25)27-12-10-21/h1-8H,9-13H2,(H,22,24)(H,23,25) |
| InChIKey |
ILRJFWFKCLXWPR-UHFFFAOYSA-N |
| Molecular Weight |
411.285 g/mol |
| SMILES |
N(C1=CC=C(CC=2C=CC(=CC2)NC(OCCCl)=O)C=C1)C(OCCCl)=O |
| Spectrum/Structure Validation Score (Raman) |
0.946671 |
