| SpectraBase Spectrum ID |
A8Y5Sl5jU1C |
| Name |
Fumaric acid, 2-methoxyphenyl 2,3-dichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.006178881 u |
| Formula |
C17H12Cl2O5 |
| InChI |
InChI=1S/C17H12Cl2O5/c1-22-12-6-2-3-7-13(12)23-15(20)9-10-16(21)24-14-8-4-5-11(18)17(14)19/h2-10H,1H3/b10-9+ |
| InChIKey |
SQRPMTQHOWJLQM-MDZDMXLPSA-N |
| Molecular Weight |
367.184 g/mol |
| SMILES |
C(\C=C\C(OC1=C(C(=CC=C1)Cl)Cl)=O)(OC1=C(OC)C=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854807 |
