| SpectraBase Spectrum ID |
1roODSwKDw |
| Name |
(3S,3aR,7aS)-2-(2,2-dimethylhexahydro-4H-furo[2,3-b]pyran-3-yl)-1-(4-nitrophenyl)ethan-1-one |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21NO5 |
| InChI |
InChI=1S/C17H21NO5/c1-17(2)14(13-4-3-9-22-16(13)23-17)10-15(19)11-5-7-12(8-6-11)18(20)21/h5-8,13-14,16H,3-4,9-10H2,1-2H3/t13-,14+,16+/m1/s1 |
| InChIKey |
UWAXZXZGFKURQZ-YCPHGPKFSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/adsc.202200907 |
| Molecular Weight |
319.357 g/mol |
| Reported Formula |
C17H21O5N |
| SMILES |
C([C@@]1(C(O[C@@]2(OCCC[C@]12[H])[H])(C)C)[H])C(=O)c1ccc(cc1)[N+]([O-])=O |
| SPLASH |
splash10-0zfr-1900000000-e0f0fbed54e1dedae84f |
| Sample Comments |
dr = 99:1 |
| Source of Spectrum |
ASC-364-SM15-7b |
| Wiley ID |
1877485 |
![(3S,3aR,7aS)-2-(2,2-dimethylhexahydro-4H-furo[2,3-b]pyran-3-yl)-1-(4-nitrophenyl)ethan-1-one](/api/spectrum/1roODSwKDw/structure.png?h=300&w=458 "(3S,3aR,7aS)-2-(2,2-dimethylhexahydro-4H-furo[2,3-b]pyran-3-yl)-1-(4-nitrophenyl)ethan-1-one")
