| SpectraBase Spectrum ID |
HC2dKtuEBgD |
| Name |
(S)-1-(6-Methoxy-2,8-dimethylchroman-2-yl)propan-2???-one |
| Appearance |
Pale-beige oil |
| Carrier Gas |
Hydrogen (30 ml/min, 1.2 bar) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H20O3 |
| GC Column |
Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C15H20O3/c1-10-7-13(17-4)8-12-5-6-15(3,9-11(2)16)18-14(10)12/h7-8H,5-6,9H2,1-4H3/t15-/m0/s1 |
| InChIKey |
JJNNZYMNPRAZEK-HNNXBMFYSA-N |
| Instrument Name |
Agilent HP6890-5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202004843 |
| Molecular Weight |
248.322 g/mol |
| Optical Rotation |
[a]D20 = +9.6 (579nm), +8.4 (589nm) (c = 0.420/100ml, CH3Cl) |
| Quality |
390 |
| Reported Formula |
C15H20O3 |
| SMILES |
C1=C(C=C(C2=C1CC[C@@](O2)(C)CC(C)=O)C)OC |
| SPLASH |
splash10-0fte-7890000000-848a68265ae51ee77fd4 |
| Sample Comments |
95% ee |
| Source of Spectrum |
QE-27-SM76-39 (DOI: 10.1002/chem.202004843) |
| Thin-Layer Chromatography |
0.38 (SiO2, cHex/EtOAc, 5:1) |
| Wiley ID |
1902011 |
