| SpectraBase Spectrum ID |
5x9PK45i1BE |
| Name |
(5S,8aS)-5-(5-Hydroxynonan-5-yl)-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 |
C16H27NO3 |
| InChI |
InChI=1S/C16H27NO3/c1-3-5-10-16(19,11-6-4-2)14-9-7-8-13-12-20-15(18)17(13)14/h7-8,13-14,19H,3-6,9-12H2,1-2H3/t13-,14-/m0/s1 |
| InChIKey |
QNUPZOGHBLFXOO-KBPBESRZSA-N |
| Instrument Name |
HP 5989A or ThermoFisher Scientific DSQII |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/adsc.201900349 |
| Molecular Weight |
281.396 g/mol |
| Optical Rotation |
[a]D19 = +3.3 (c = 0.5, CHCl3) |
| Reported Formula |
C16H27NO3 |
| SMILES |
OC([C@]1(N2[C@@](C=CC1)(COC2=O)[H])[H])(CCCC)CCCC |
| SPLASH |
splash10-000i-4900000000-d25a8e9f043771e3d91a |
| Source of Spectrum |
ASC-361-SM23-(S,S)-18a |
| Thin-Layer Chromatography |
Rf = 0.25 (hexanes/ethyl acetate, 70:30) |
| Wiley ID |
1835284 |
![(5S,8aS)-5-(5-Hydroxynonan-5-yl)-1,5,6,8a-tetrahydro-3H-oxazolo[3,4-a]pyridin-3-one](/api/spectrum/5x9PK45i1BE/structure.png?h=300&w=458 "(5S,8aS)-5-(5-Hydroxynonan-5-yl)-1,5,6,8a-tetrahydro-3H-oxazolo[3,4-a]pyridin-3-one")
