| SpectraBase Spectrum ID |
4jHY2Cfkx5x |
| Name |
Succinic acid, 2-chlorophenyl 2,4-dichloro-6-formylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.967206549 u |
| Formula |
C17H11Cl3O5 |
| InChI |
InChI=1S/C17H11Cl3O5/c18-11-7-10(9-21)17(13(20)8-11)25-16(23)6-5-15(22)24-14-4-2-1-3-12(14)19/h1-4,7-9H,5-6H2 |
| InChIKey |
SZMJPFOXJBXXNA-UHFFFAOYSA-N |
| Molecular Weight |
401.629 g/mol |
| SMILES |
C1(=CC(C=O)=C(C(=C1)Cl)OC(CCC(OC1=CC=CC=C1Cl)=O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974627 |
