| SpectraBase Spectrum ID |
9AY9Eq74U9i |
| Name |
Fumaric acid, di(4-chloro-2-methylphenyl) ester |
| 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/c1-11-9-13(19)3-5-15(11)23-17(21)7-8-18(22)24-16-6-4-14(20)10-12(16)2/h3-10H,1-2H3/b8-7+ |
| InChIKey |
FDZBBQDGRYVNHX-BQYQJAHWSA-N |
| Molecular Weight |
365.212 g/mol |
| SMILES |
C(OC=1C(C)=CC(=CC1)Cl)(\C=C\C(OC=1C(C)=CC(=CC1)Cl)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948391 |
