| SpectraBase Spectrum ID |
7AyxLHMqk42 |
| Name |
(S)-3-phenylhexane-2,5-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H14O2 |
| InChI |
InChI=1S/C12H14O2/c1-9(13)8-12(10(2)14)11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3/t12-/m1/s1 |
| InChIKey |
FXPCGHUTBCPZHN-GFCCVEGCSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Molecular Weight |
190.242 g/mol |
| Optical Rotation |
[a]D20 = -300 (a = -0.300, c = 1.0 mg/ml, chloroform) |
| SMILES |
c1(ccccc1)[C@@](C(C)=O)(CC(C)=O)[H] |
| SPLASH |
splash10-052e-1900000000-caaa0a8b8da3f4a52035 |
| Source of Spectrum |
US20100305337A1 |
| Thin-Layer Chromatography |
Rf = 0.28 (cyclohexane/ethyl acetate, 5:1) |
| Wiley ID |
1844181 |
