| SpectraBase Spectrum ID |
FXi7V59RqiD |
| Name |
(5R,9aS)-5-(1-Hydroxycyclohexyl)-1,6,7,9a-tetrahydro-3H-5H-oxazolo[3,4-a]azepin-3-one |
| Appearance |
Colourless oil |
| 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+/m1/s1 |
| InChIKey |
IXWPLMWBHWHDSC-OLZOCXBDSA-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 = -5.1 (c = 1, CHCl3) |
| SMILES |
OC1(CCCCC1)C[C@@]1(N2[C@@](COC2=O)([H])C=CCC1)[H] |
| SPLASH |
splash10-00bc-9840000000-fb65bab7456187c33886 |
| Source of Spectrum |
ASC-361-SM3-(R,S)-5b |
| Thin-Layer Chromatography |
Rf = 0.21 (hexanes/diethyl ether, 60:40) |
| Wiley ID |
1835278 |
![(5R,9aS)-5-(1-Hydroxycyclohexyl)-1,6,7,9a-tetrahydro-3H-5H-oxazolo[3,4-a]azepin-3-one](/api/spectrum/FXi7V59RqiD/structure.png?h=300&w=458 "(5R,9aS)-5-(1-Hydroxycyclohexyl)-1,6,7,9a-tetrahydro-3H-5H-oxazolo[3,4-a]azepin-3-one")
