| SpectraBase Spectrum ID |
19haG4cwY0d |
| Name |
4-[(4R,4aR,6R,8aR)-2,2-dimethyl-4-(4-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxin-6-yl]butan-2-one |
| Appearance |
Clear viscous oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.188922968 u |
| Formula |
C20H27NO5 |
| InChI |
InChI=1S/C20H27NO5/c1-13(22)4-5-14-6-11-18-17(12-14)19(26-20(2,3)25-18)15-7-9-16(10-8-15)21(23)24/h7-10,14,17-19H,4-6,11-12H2,1-3H3/t14-,17+,18+,19-/m0/s1 |
| InChIKey |
RLGAHGSIALEKOC-PIKADFDJSA-N |
| Instrument Name |
BrukerDaltonics HCT Ultra |
| Ionization Type |
EI negative ion |
| Literature Reference DOI |
10.1002/chem.201602900 |
| Molecular Weight |
361.438 g/mol |
| Quality |
186 |
| Reported Formula |
C20H27NO5 |
| SMILES |
C1[C@@]2([C@@](C[C@](C1)(CCC(C)=O)[H])([C@@](OC(O2)(C)C)(C1=CC=C(C=C1)[N+]([O-])=O)[H])[H])[H] |
| SPLASH |
splash10-0fri-0596000000-e827c7f2766205e21e59 |
| Sample Comments |
98% ee |
| Source of Spectrum |
QE-22-SM115-15a (DOI: 10.1002/chem.201602900) |
| Thin-Layer Chromatography |
0.34 (EtOAc/pet ether, 3:7) |
| Wiley ID |
1910190 |
![4-[(4R,4aR,6R,8aR)-2,2-dimethyl-4-(4-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxin-6-yl]butan-2-one](/api/spectrum/19haG4cwY0d/structure.png?h=300&w=458 "4-[(4R,4aR,6R,8aR)-2,2-dimethyl-4-(4-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxin-6-yl]butan-2-one")
