| SpectraBase Compound ID | 1ftVPGqU9Dm |
|---|---|
| InChI | InChI=1S/C14H11ClO2/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9H,10H2 |
| InChIKey | VBIOKGVOQMIBHO-UHFFFAOYSA-N |
| Mol Weight | 246.69 g/mol |
| Molecular Formula | C14H11ClO2 |
| Exact Mass | 246.044757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BW4V5EpCBhz |
|---|---|
| Name | Benzoic acid, 4-chloro-, phenylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.044757292 u |
| Formula | C14H11ClO2 |
| InChI | InChI=1S/C14H11ClO2/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9H,10H2 |
| InChIKey | VBIOKGVOQMIBHO-UHFFFAOYSA-N |
| Molecular Weight | 246.693 g/mol |
| SMILES | C1=C(C=CC(=C1)C(=O)OCC1=CC=CC=C1)Cl |