| SpectraBase Spectrum ID |
4kb6koPenN3 |
| Name |
4-((4S,4aS,6R,8aS)-2,2-dimethyl-4-(3-nitrophenyl)hexahydro-4H-benzo[d][1,3]dioxin-6-yl)butan-2-one |
| Alternate Name(s) |
4-((4S,4aS,6R,8aR)-2,2-dimethyl-4-(3-nitrophenyl)hexahydro-4H-benzo[d][1,3]dioxin-6-yl)butan-2-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H27NO5 |
| InChI |
InChI=1S/C20H27NO5/c1-13(22)7-8-14-9-10-18-17(11-14)19(26-20(2,3)25-18)15-5-4-6-16(12-15)21(23)24/h4-6,12,14,17-19H,7-11H2,1-3H3/t14-,17-,18+,19+/m0/s1 |
| InChIKey |
HINQOSFPMKWRCK-WQANXHIZSA-N |
| Molecular Weight |
361.438 g/mol |
| SMILES |
C1[C@@]2([C@](C[C@](C1)(CCC(C)=O)[H])([C@](OC(O2)(C)C)(c1cc(ccc1)[N+]([O-])=O)[H])[H])[H] |
| SPLASH |
splash10-0yb9-0039000000-b1177a424c9e266f41f7 |
| Source of Spectrum |
ASC-358-3706/SM13-11b |
| Wiley ID |
1803544 |
![4-((4S,4aS,6R,8aS)-2,2-dimethyl-4-(3-nitrophenyl)hexahydro-4H-benzo[d][1,3]dioxin-6-yl)butan-2-one](/api/spectrum/4kb6koPenN3/structure.png?h=300&w=458 "4-((4S,4aS,6R,8aS)-2,2-dimethyl-4-(3-nitrophenyl)hexahydro-4H-benzo[d][1,3]dioxin-6-yl)butan-2-one")
