| SpectraBase Spectrum ID |
EVVlWLysfUe |
| Name |
1-((4R,4aR,6S,8aR)-2,2-dimethyl-4-(4-nitrophenyl)hexahydro-4H-benzo[d][1,3]dioxin-6-yl)-3-phenylpropan-2-one |
| Appearance |
Clear viscous oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.204573033 u |
| Formula |
C25H29NO5 |
| InChI |
InChI=1S/C25H29NO5/c1-25(2)30-23-13-8-18(15-21(27)14-17-6-4-3-5-7-17)16-22(23)24(31-25)19-9-11-20(12-10-19)26(28)29/h3-7,9-12,18,22-24H,8,13-16H2,1-2H3/t18-,22-,23-,24+/m1/s1 |
| InChIKey |
HEWISYNBPNGLIQ-WJXFIBLPSA-N |
| Instrument Name |
BrukerDaltonics HCT Ultra |
| Ionization Type |
EI negative ion |
| Literature Reference DOI |
10.1002/chem.201602900 |
| Molecular Weight |
423.509 g/mol |
| Quality |
331 |
| Reported Formula |
C25H28NO5 |
| SMILES |
C1(O[C@]2([C@]([C@@](O1)(C1=CC=C(C=C1)[N+](=O)[O-])[H])(C[C@](CC2)(CC(=O)CC1=CC=CC=C1)[H])[H])[H])(C)C |
| SPLASH |
splash10-001i-0493000000-456778e632bfaf5059c9 |
| Sample Comments |
99% ee |
| Source of Spectrum |
QE-22-SM141-15j (DOI: 10.1002/chem.201602900) |
| Thin-Layer Chromatography |
0.28 (EtOAc/pet ether, 1:4) |
| Wiley ID |
1910192 |
![1-((4R,4aR,6S,8aR)-2,2-dimethyl-4-(4-nitrophenyl)hexahydro-4H-benzo[d][1,3]dioxin-6-yl)-3-phenylpropan-2-one](/api/spectrum/EVVlWLysfUe/structure.png?h=300&w=458 "1-((4R,4aR,6S,8aR)-2,2-dimethyl-4-(4-nitrophenyl)hexahydro-4H-benzo[d][1,3]dioxin-6-yl)-3-phenylpropan-2-one")
