| SpectraBase Spectrum ID |
5p4bZZ5d2qY |
| Name |
3-(4-chloro-phenyl)hexane-2,5-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13ClO2 |
| InChI |
InChI=1S/C12H13ClO2/c1-8(14)7-12(9(2)15)10-3-5-11(13)6-4-10/h3-6,12H,7H2,1-2H3 |
| InChIKey |
HGIWWCFZMTZPPM-UHFFFAOYSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Molecular Weight |
224.687 g/mol |
| Optical Rotation |
[a]D20 = -314 (a =-1.571, c = 5 mg/ml, chloroform) |
| SMILES |
c1(Cl)ccc(cc1)C(C(C)=O)CC(C)=O |
| SPLASH |
splash10-00ai-0930000000-b67848a294fb0aecff3a |
| Source of Spectrum |
US20100305337A1 |
| Thin-Layer Chromatography |
Rf =0.20 (cyclohexane/ethyl acetate, 5:1) |
| Wiley ID |
1844182 |
