| SpectraBase Compound ID | CuaXrJOrHyh |
|---|---|
| InChI | InChI=1S/C13H13ClO4/c1-2-8-17-12(15)6-7-13(16)18-11-5-3-4-10(14)9-11/h3-7,9H,2,8H2,1H3/b7-6+ |
| InChIKey | LWMBROQGDNPROI-VOTSOKGWSA-N |
| Mol Weight | 268.7 g/mol |
| Molecular Formula | C13H13ClO4 |
| Exact Mass | 268.050237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I7YPbuHoD22 |
|---|---|
| Name | Fumaric acid, 3-chlorophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.050236595 u |
| Formula | C13H13ClO4 |
| InChI | InChI=1S/C13H13ClO4/c1-2-8-17-12(15)6-7-13(16)18-11-5-3-4-10(14)9-11/h3-7,9H,2,8H2,1H3/b7-6+ |
| InChIKey | LWMBROQGDNPROI-VOTSOKGWSA-N |
| Molecular Weight | 268.696 g/mol |
| SMILES | C(\C=C\C(OC=1C=CC=C(C1)Cl)=O)(OCCC)=O |