| SpectraBase Compound ID | Lk85fhzJmJW |
|---|---|
| InChI | InChI=1S/C16H15ClO2/c17-15-10-8-14(9-11-15)16(18)19-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2 |
| InChIKey | AAZZDRBXFHKJNG-UHFFFAOYSA-N |
| Mol Weight | 274.75 g/mol |
| Molecular Formula | C16H15ClO2 |
| Exact Mass | 274.076057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2bsW9onwaF8 |
|---|---|
| Name | 4-Chlorobenzoic acid, 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.076057421 u |
| Formula | C16H15ClO2 |
| InChI | InChI=1S/C16H15ClO2/c17-15-10-8-14(9-11-15)16(18)19-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2 |
| InChIKey | AAZZDRBXFHKJNG-UHFFFAOYSA-N |
| Molecular Weight | 274.747 g/mol |
| SMILES | C1(=CC=CC=C1)CCCOC(C1=CC=C(C=C1)Cl)=O |