| SpectraBase Spectrum ID |
28NKY8JMl8Y |
| Name |
(S)-6-(sec-Butyl)-4-methoxy-3-methyl-2H-pyran-2-one |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
196.109944372 u |
| Formula |
C11H16O3 |
| InChI |
InChI=1S/C11H16O3/c1-5-7(2)9-6-10(13-4)8(3)11(12)14-9/h6-7H,5H2,1-4H3/t7-/m0/s1 |
| InChIKey |
NXSGFWWGPUVURQ-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 |
196.246 g/mol |
| Optical Rotation |
[a]D20.0 = +7.2 (c = 0.47, MeOH) |
| Quality |
198 |
| Reported Formula |
C11H16O3 |
| SMILES |
CC[C@](C)(C1=CC(=C(C(O1)=O)C)OC)[H] |
| SPLASH |
splash10-000i-0900000000-eecf749c6db09cdb4a0c |
| Source of Spectrum |
K1-2018-3151-18 (DOI: 10.1002/ejoc.201800621) |
| Thin-Layer Chromatography |
0.31 (cyclohexane/EtOAc, 2:1) |
| Wiley ID |
1894073 |
