| SpectraBase Spectrum ID |
78k569nukM7 |
| Name |
Dichlorphen, cyclic ester with dimethylmalonic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.026914327 u |
| Formula |
C18H14Cl2O4 |
| InChI |
InChI=1S/C18H14Cl2O4/c1-18(2)16(21)23-14-5-3-12(19)8-10(14)7-11-9-13(20)4-6-15(11)24-17(18)22/h3-6,8-9H,7H2,1-2H3 |
| InChIKey |
FTNIRTALKHVZSM-UHFFFAOYSA-N |
| Molecular Weight |
365.212 g/mol |
| SMILES |
C1C2=CC(Cl)=CC=C2OC(C(C)(C(OC2=C1C=C(C=C2)Cl)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947584 |
