| SpectraBase Compound ID | 5ivnxQFvMRf |
|---|---|
| InChI | InChI=1S/C13H14ClNO2/c14-9-3-1-2-4-13(16)17-12-7-5-11(10-15)6-8-12/h5-8H,1-4,9H2 |
| InChIKey | SDRUVBBNRXNYRO-UHFFFAOYSA-N |
| Mol Weight | 251.71 g/mol |
| Molecular Formula | C13H14ClNO2 |
| Exact Mass | 251.071306 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2hlsxKhBTZN |
|---|---|
| Name | 6-Chlorohexanoic acid, 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.071306393 u |
| Formula | C13H14ClNO2 |
| InChI | InChI=1S/C13H14ClNO2/c14-9-3-1-2-4-13(16)17-12-7-5-11(10-15)6-8-12/h5-8H,1-4,9H2 |
| InChIKey | SDRUVBBNRXNYRO-UHFFFAOYSA-N |
| Molecular Weight | 251.713 g/mol |
| SMILES | C(C1=CC=C(OC(CCCCCCl)=O)C=C1)#N |