| SpectraBase Compound ID | 3lb5wGPu8QB |
|---|---|
| InChI | InChI=1S/C10H9ClO2/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h2-7H,1H3/b6-5+ |
| InChIKey | QCCTYRQOMYMCCU-AATRIKPKSA-N |
| Mol Weight | 196.63 g/mol |
| Molecular Formula | C10H9ClO2 |
| Exact Mass | 196.029107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ck4CeJEoK1S |
|---|---|
| Name | Methyl 3-(3-chlorophenyl)prop-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.029107228 u |
| Formula | C10H9ClO2 |
| InChI | InChI=1S/C10H9ClO2/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h2-7H,1H3/b6-5+ |
| InChIKey | QCCTYRQOMYMCCU-AATRIKPKSA-N |
| Molecular Weight | 196.633 g/mol |
| SMILES | C1=C(C=C(C=C1)Cl)\C=C\C(OC)=O |