| SpectraBase Spectrum ID |
Dv5CAfm2rmB |
| Name |
3-hexylhexane-2,5-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H22O2 |
| InChI |
InChI=1S/C12H22O2/c1-4-5-6-7-8-12(11(3)14)9-10(2)13/h12H,4-9H2,1-3H3 |
| InChIKey |
NJPUBZOWBDYCLW-UHFFFAOYSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Molecular Weight |
198.306 g/mol |
| Optical Rotation |
[a]D20 = -54 (a = -0.215, c=4 mg/ml, chloroform) |
| SMILES |
C(CCCCC)C(C(C)=O)CC(C)=O |
| SPLASH |
splash10-024i-4900000000-f5a31b9c758a8cb4d9f5 |
| Source of Spectrum |
US20100305337A1 |
| Thin-Layer Chromatography |
Rf = 0.34 (cyclohexane/ethyl acetate, 5:1) |
| Wiley ID |
1844180 |
