| SpectraBase Compound ID | KYQkYWVwcZ0 |
|---|---|
| InChI | InChI=1S/C18H19ClO2/c19-14-8-2-5-13-18(20)21-17-12-7-6-11-16(17)15-9-3-1-4-10-15/h1,3-4,6-7,9-12H,2,5,8,13-14H2 |
| InChIKey | ZDHUOAJXRRSKOB-UHFFFAOYSA-N |
| Mol Weight | 302.8 g/mol |
| Molecular Formula | C18H19ClO2 |
| Exact Mass | 302.107358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CZ5Ut0iPbyz |
|---|---|
| Name | 6-Chlorohexanoic acid, 2-biphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.107357550 u |
| Formula | C18H19ClO2 |
| InChI | InChI=1S/C18H19ClO2/c19-14-8-2-5-13-18(20)21-17-12-7-6-11-16(17)15-9-3-1-4-10-15/h1,3-4,6-7,9-12H,2,5,8,13-14H2 |
| InChIKey | ZDHUOAJXRRSKOB-UHFFFAOYSA-N |
| Molecular Weight | 302.801 g/mol |
| SMILES | C(CCCCCCl)(=O)OC1=C(C2=CC=CC=C2)C=CC=C1 |