| SpectraBase Spectrum ID |
H9tgJC0MaIn |
| Name |
(5S,8aS)-5-((R)-1-Hydroxy-3-methylbutyl)-1,5,6,8a-tetrahydro-3H-oxazolo[3,4-a]pyridin-3-one |
| Appearance |
Colourless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H19NO3 |
| InChI |
InChI=1S/C12H19NO3/c1-8(2)6-11(14)10-5-3-4-9-7-16-12(15)13(9)10/h3-4,8-11,14H,5-7H2,1-2H3/t9-,10-,11+/m0/s1 |
| InChIKey |
SBIFJRGPBSXRCB-GARJFASQSA-N |
| Instrument Name |
HP 5989A or ThermoFisher Scientific DSQII |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/adsc.201900349 |
| Molecular Weight |
225.288 g/mol |
| Optical Rotation |
[a]D19 = +21.5 (c = 1, CHCl3) |
| Reported Formula |
C12H19NO3 |
| SMILES |
O[C@](CC(C)C)([C@]1(N2[C@@](C=CC1)(COC2=O)[H])[H])[H] |
| SPLASH |
splash10-00ko-9300000000-c9384436de8cf6129b8e |
| Source of Spectrum |
ASC-361-SM20-(R,S,S)-8a |
| Thin-Layer Chromatography |
Rf = 0.47 (hexanes/ethyl acetate, 50:50) |
| Wiley ID |
1835280 |
![(5S,8aS)-5-((R)-1-Hydroxy-3-methylbutyl)-1,5,6,8a-tetrahydro-3H-oxazolo[3,4-a]pyridin-3-one](/api/spectrum/H9tgJC0MaIn/structure.png?h=300&w=458 "(5S,8aS)-5-((R)-1-Hydroxy-3-methylbutyl)-1,5,6,8a-tetrahydro-3H-oxazolo[3,4-a]pyridin-3-one")
