| SpectraBase Compound ID | ILvTqA8tzay |
|---|---|
| InChI | InChI=1S/C12H12ClNO2/c13-6-5-11(15)9-1-3-10-8(7-9)2-4-12(16)14-10/h1,3,7H,2,4-6H2,(H,14,16) |
| InChIKey | DASDAZFBTSMFRH-UHFFFAOYSA-N |
| Mol Weight | 237.69 g/mol |
| Molecular Formula | C12H12ClNO2 |
| Exact Mass | 237.055656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CQM8Vk12CsA |
|---|---|
| Name | 2(1H)-Quinolinone, 6-(3-chloro-1-oxopropyl)-3,4-dihydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.055656328 u |
| Formula | C12H12ClNO2 |
| InChI | InChI=1S/C12H12ClNO2/c13-6-5-11(15)9-1-3-10-8(7-9)2-4-12(16)14-10/h1,3,7H,2,4-6H2,(H,14,16) |
| InChIKey | DASDAZFBTSMFRH-UHFFFAOYSA-N |
| Molecular Weight | 237.686 g/mol |
| SMILES | N1C(CCC=2C=C(C=CC12)C(CCCl)=O)=O |