| SpectraBase Spectrum ID |
1OCjjyK289V |
| Name |
1-(4-Butylphenyl)-3-chloranyl-propan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962466 |
