| SpectraBase Spectrum ID |
Fr3eHaETXl4 |
| Name |
(5S,9aS)-5-(1-hydroxycyclohexyl)-1,6,7,9a-tetrahydro-3H,5H-oxazolo[3,4-a]azepin-3-one |
| Appearance |
Colourless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H23NO3 |
| InChI |
InChI=1S/C15H23NO3/c17-14-16-12(6-2-3-7-13(16)11-19-14)10-15(18)8-4-1-5-9-15/h3,7,12-13,18H,1-2,4-6,8-11H2/t12-,13-/m0/s1 |
| InChIKey |
IXWPLMWBHWHDSC-STQMWFEESA-N |
| Instrument Name |
HP 5989A or ThermoFisher Scientific DSQII |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/adsc.201900349 |
| Molecular Weight |
265.353 g/mol |
| Optical Rotation |
[a]D19 = -15.5 (c = 1, CHCl3) |
| SMILES |
OC1(CCCCC1)C[C@@]1(CCC=C[C@@]2([H])COC(=O)N12)[H] |
| SPLASH |
splash10-0537-9000000000-7b467250e5391b84d1a4 |
| Source of Spectrum |
ASC-361-SM18-(S,S)-5b |
| Thin-Layer Chromatography |
Rf = 0.28 (hexanes/ethyl acetate, 50:50) |
| Wiley ID |
1835285 |
![(5S,9aS)-5-(1-hydroxycyclohexyl)-1,6,7,9a-tetrahydro-3H,5H-oxazolo[3,4-a]azepin-3-one](/api/spectrum/Fr3eHaETXl4/structure.png?h=300&w=458 "(5S,9aS)-5-(1-hydroxycyclohexyl)-1,6,7,9a-tetrahydro-3H,5H-oxazolo[3,4-a]azepin-3-one")
