| SpectraBase Compound ID | H57hVxq6O4y |
|---|---|
| InChI | InChI=1S/C12H13ClO2/c1-2-3-4-8-15-12(14)10-6-5-7-11(13)9-10/h2,5-7,9H,1,3-4,8H2 |
| InChIKey | RDVBXOHTBOIYCP-UHFFFAOYSA-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 | 8CnySXCqgbM |
|---|---|
| Name | Pent-4-enyl 3-chlorobenzoate |
| 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/c1-2-3-4-8-15-12(14)10-6-5-7-11(13)9-10/h2,5-7,9H,1,3-4,8H2 |
| InChIKey | RDVBXOHTBOIYCP-UHFFFAOYSA-N |
| Molecular Weight | 224.687 g/mol |
| SMILES | C=CCCCOC(=O)C1=CC(=CC=C1)Cl |