| SpectraBase Spectrum ID |
Jk8WWswA0HQ |
| Name |
2-Chloranyl-1-[4-(2-methylpropyl)phenyl]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/c1-9(2)8-11-4-6-12(7-5-11)13(15)10(3)14/h4-7,9-10H,8H2,1-3H3 |
| InChIKey |
GIHSMBINQBEFLD-UHFFFAOYSA-N |
| Molecular Weight |
224.731 g/mol |
| SMILES |
C(C1=CC=C(C=C1)CC(C)C)(=O)C(Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920398 |
![2-Chloranyl-1-[4-(2-methylpropyl)phenyl]propan-1-one](/api/spectrum/Jk8WWswA0HQ/structure.png?h=300&w=458 "2-Chloranyl-1-[4-(2-methylpropyl)phenyl]propan-1-one")
