| SpectraBase Compound ID | EUVUBKobI9E |
|---|---|
| InChI | InChI=1S/C13H16ClNO/c1-10-4-5-12-11(9-10)3-2-8-15(12)13(16)6-7-14/h4-5,9H,2-3,6-8H2,1H3 |
| InChIKey | PHMHKMSEMKPHQD-UHFFFAOYSA-N |
| Mol Weight | 237.73 g/mol |
| Molecular Formula | C13H16ClNO |
| Exact Mass | 237.092042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4dPmw9q1TyK |
|---|---|
| Name | 1-(3-Chloropropionyl)-6-methyl-1,2,3,4-tetrahydroquinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.092041838 u |
| Formula | C13H16ClNO |
| InChI | InChI=1S/C13H16ClNO/c1-10-4-5-12-11(9-10)3-2-8-15(12)13(16)6-7-14/h4-5,9H,2-3,6-8H2,1H3 |
| InChIKey | PHMHKMSEMKPHQD-UHFFFAOYSA-N |
| Molecular Weight | 237.730 g/mol |
| SMILES | C=12C=C(C=CC1N(CCC2)C(CCCl)=O)C |