| SpectraBase Compound ID | HGZ6OyYL2Po |
|---|---|
| InChI | InChI=1S/C15H16ClNO2/c1-3-4-7-19-15(18)13-12(16)6-5-11-8-10(2)9-17-14(11)13/h5-6,8-9H,3-4,7H2,1-2H3 |
| InChIKey | NKJJPSFPKYACSG-UHFFFAOYSA-N |
| Mol Weight | 277.75 g/mol |
| Molecular Formula | C15H16ClNO2 |
| Exact Mass | 277.086956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KApMPzCVmKZ |
|---|---|
| Name | 7-Chloro-3-methyl-quinoline-8-carboxylic acid, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.086956457 u |
| Formula | C15H16ClNO2 |
| InChI | InChI=1S/C15H16ClNO2/c1-3-4-7-19-15(18)13-12(16)6-5-11-8-10(2)9-17-14(11)13/h5-6,8-9H,3-4,7H2,1-2H3 |
| InChIKey | NKJJPSFPKYACSG-UHFFFAOYSA-N |
| SMILES | C1(=C(C(=O)OCCCC)C2=NC=C(C=C2C=C1)C)Cl |