| SpectraBase Compound ID | Kdni5O0oti7 |
|---|---|
| InChI | InChI=1S/2C9H7ClO2.Na/c2*10-8-3-1-2-7(6-8)4-5-9(11)12;/h2*1-6H,(H,11,12);/q;;+1/p-1/b2*5-4+; |
| InChIKey | QZWSZRMBSDYHBU-WDTNTSJCSA-M |
| Mol Weight | 387.19 g/mol |
| Molecular Formula | C18H13Cl2NaO4 |
| Exact Mass | 386.008859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 4zPWoKioYrs |
|---|---|
| Name | m-CHLOROCINNAMIC ACID |
| Source of Sample | Fluka AG, Buchs, Switzerland |
| CAS Registry Number | 1866-38-2 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H7ClO2 |
| InChI | InChI=1S/2C9H7ClO2.Na/c2*10-8-3-1-2-7(6-8)4-5-9(11)12;/h2*1-6H,(H,11,12);/q;;+1/p-1/b2*5-4+; |
| InChIKey | QZWSZRMBSDYHBU-WDTNTSJCSA-M |
| Molecular Weight | 182.61 |
| Solvent | Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20 |