| SpectraBase Compound ID | LZ0f2Buxjxe |
|---|---|
| InChI | InChI=1S/C16H15ClO2/c17-12-6-11-16(18)19-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2 |
| InChIKey | LBYNLGXLCDTASA-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 | IsZlYqj2lUA |
|---|---|
| Name | 4-Chlorobutyric acid, 2-biphenyl 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/c17-12-6-11-16(18)19-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2 |
| InChIKey | LBYNLGXLCDTASA-UHFFFAOYSA-N |
| Molecular Weight | 274.747 g/mol |
| SMILES | C(Cl)CCC(=O)OC1=C(C2=CC=CC=C2)C=CC=C1 |