| SpectraBase Spectrum ID |
5HuaLIQwscm |
| Name |
4H-1,3-Benzodioxin-4-one, 2,5-bis(1,1-dimethylethyl)hexahydro-, [2S-(2.alpha.,4a.alpha.,5.beta.,8a.beta.)]- |
| Alternate Name(s) |
(2S,4aS,5R,8aS)-2,5-di(t-butyl)-perhydro-2H,4H-[1,3]benzodioxin-4-one
(2S,4aS,5R,8aS)-2,5-ditert-butylhexahydro-4H-1,3-benzodioxin-4-one |
| CAS Registry Number |
113121-94-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H28O3 |
| InChI |
InChI=1S/C16H28O3/c1-15(2,3)10-8-7-9-11-12(10)13(17)19-14(18-11)16(4,5)6/h10-12,14H,7-9H2,1-6H3/t10-,11+,12+,14+/m1/s1 |
| InChIKey |
JRBMUKJWMNSNNP-UHXUPSOCSA-N |
| Molecular Weight |
268.397 g/mol |
| SMILES |
C1([C@@]2([C@@](CCC[C@]2(C(C)(C)C)[H])([H])O[C@@](O1)(C(C)(C)C)[H])[H])=O |
| SPLASH |
splash10-069u-9700000000-49624454a0cb7c6eff58 |
| Source of Spectrum |
H-72-709-14 |
| Wiley ID |
1272411 |
![4H-1,3-Benzodioxin-4-one, 2,5-bis(1,1-dimethylethyl)hexahydro-, [2S-(2.alpha.,4a.alpha.,5.beta.,8a.beta.)]-](/api/spectrum/5HuaLIQwscm/structure.png?h=300&w=458 "4H-1,3-Benzodioxin-4-one, 2,5-bis(1,1-dimethylethyl)hexahydro-, [2S-(2.alpha.,4a.alpha.,5.beta.,8a.beta.)]-")
