| SpectraBase Spectrum ID |
8Vl2xu8Wn0J |
| Name |
(5R,8aS)-5-(1-Hydroxy-3-methylbutyl)-1,5,6,8a-tetrahydro-3H-oxazolo[3,4-a]pyridin-3-one |
| 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-MTULOOOASA-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 |
| Reported Formula |
C12H19NO3 |
| SMILES |
OC(CC(C)C)[C@@]1(N2[C@@](C=CC1)(COC2=O)[H])[H] |
| SPLASH |
splash10-014l-9400000000-dd90422291857e5e4a90 |
| Sample Comments |
trans/cis = 0:100, dr = 53:47 |
| Source of Spectrum |
ASC-361-SM6-8a |
| Wiley ID |
1835295 |
![(5R,8aS)-5-(1-Hydroxy-3-methylbutyl)-1,5,6,8a-tetrahydro-3H-oxazolo[3,4-a]pyridin-3-one](/api/spectrum/8Vl2xu8Wn0J/structure.png?h=300&w=458 "(5R,8aS)-5-(1-Hydroxy-3-methylbutyl)-1,5,6,8a-tetrahydro-3H-oxazolo[3,4-a]pyridin-3-one")
