| SpectraBase Compound ID | CYRKH7pmYzr |
|---|---|
| InChI | InChI=1S/C13H17ClO/c1-2-3-4-11-5-7-12(8-6-11)13(15)9-10-14/h5-8H,2-4,9-10H2,1H3 |
| InChIKey | ALQYRRXVDCKQCY-UHFFFAOYSA-N |
| Mol Weight | 224.73 g/mol |
| Molecular Formula | C13H17ClO |
| Exact Mass | 224.096793 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9VUbcCyQYXx |
|---|---|
| Name | 1-(4-Butylphenyl)-3-chloranyl-propan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.096792866 u |
| Formula | C13H17ClO |
| InChI | InChI=1S/C13H17ClO/c1-2-3-4-11-5-7-12(8-6-11)13(15)9-10-14/h5-8H,2-4,9-10H2,1H3 |
| InChIKey | ALQYRRXVDCKQCY-UHFFFAOYSA-N |
| Molecular Weight | 224.731 g/mol |
| SMILES | C(C=1C=CC(=CC1)CCCC)(=O)CCCl |