| SpectraBase Compound ID | Jir7AGpiMoB |
|---|---|
| InChI | InChI=1S/C13H12Cl2O4/c1-2-7-18-12(16)5-6-13(17)19-9-3-4-10(14)11(15)8-9/h3-6,8H,2,7H2,1H3/b6-5+ |
| InChIKey | CSZOMICJWRANGB-AATRIKPKSA-N |
| Mol Weight | 303.14 g/mol |
| Molecular Formula | C13H12Cl2O4 |
| Exact Mass | 302.011264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9wOgavugrvR |
|---|---|
| Name | Fumaric acid, 3,4-dichlorophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.011264262 u |
| Formula | C13H12Cl2O4 |
| InChI | InChI=1S/C13H12Cl2O4/c1-2-7-18-12(16)5-6-13(17)19-9-3-4-10(14)11(15)8-9/h3-6,8H,2,7H2,1H3/b6-5+ |
| InChIKey | CSZOMICJWRANGB-AATRIKPKSA-N |
| Molecular Weight | 303.141 g/mol |
| SMILES | C(\C=C\C(OC1=CC=C(C(=C1)Cl)Cl)=O)(OCCC)=O |