| SpectraBase Spectrum ID |
FVHEC6JkA5O |
| Name |
4-(2-Chlorophenyl)heptan-2-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/c1-3-6-11(9-10(2)15)12-7-4-5-8-13(12)14/h4-5,7-8,11H,3,6,9H2,1-2H3/t11-/m1/s1 |
| InChIKey |
YNADMCSWMQVZRR-LLVKDONJSA-N |
| Molecular Weight |
224.731 g/mol |
| SMILES |
C=1C=CC(=C(C1)[C@@](CC(C)=O)(CCC)[H])Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92029 |
