| SpectraBase Compound ID | CWrN1PQ2Nvu |
|---|---|
| InChI | InChI=1S/C12H13ClO2/c13-9-8-12(14)15-10-4-7-11-5-2-1-3-6-11/h1-7H,8-10H2/b7-4+ |
| InChIKey | GTJORJHUVDVIRD-QPJJXVBHSA-N |
| Mol Weight | 224.69 g/mol |
| Molecular Formula | C12H13ClO2 |
| Exact Mass | 224.060407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | L05u8Ig3jAr |
|---|---|
| Name | 3-Chloropropanoic acid, 3-phenyl-2-propenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.060407357 u |
| Formula | C12H13ClO2 |
| InChI | InChI=1S/C12H13ClO2/c13-9-8-12(14)15-10-4-7-11-5-2-1-3-6-11/h1-7H,8-10H2/b7-4+ |
| InChIKey | GTJORJHUVDVIRD-QPJJXVBHSA-N |
| Molecular Weight | 224.687 g/mol |
| SMILES | C1(=CC=CC=C1)\C=C\COC(CCCl)=O |