| SpectraBase Spectrum ID |
3D446npmHnH |
| Name |
(S)-6-(sec-Butyl)-3-methyl-2H-pyran-2-one |
| Appearance |
Pale yellow oil |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
166.099379689 u |
| Formula |
C10H14O2 |
| InChI |
InChI=1S/C10H14O2/c1-4-7(2)9-6-5-8(3)10(11)12-9/h5-7H,4H2,1-3H3/t7-/m0/s1 |
| InChIKey |
MGLYOXCODWYDGM-ZETCQYMHSA-N |
| Inlet Type |
Split injector |
| Instrument Name |
HP 7890B-5977A inert mass detector |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800621 |
| Molecular Weight |
166.220 g/mol |
| Optical Rotation |
[a]D24.0 = +8.9 (c = 0.29, MeOH) |
| Quality |
280 |
| Reported Formula |
C10H14O2 |
| SMILES |
CC[C@](C)(C1=CC=C(C(O1)=O)C)[H] |
| SPLASH |
splash10-0a4i-1900000000-f8e0c49b6b8f454ef9ea |
| Sample Comments |
19% ee |
| Source of Spectrum |
K1-2018-3152-(+)-5 (DOI: 10.1002/ejoc.201800621) |
| Thin-Layer Chromatography |
0.84 (cyclohexane/EtOAc, 2:1) |
| Wiley ID |
1894066 |
