| SpectraBase Spectrum ID |
LrMRbJyi7co |
| Name |
1,3-Dioxan-4-one, 2-(1,1-dimethylethyl)-5-methyl-, (2S-trans)- |
| Alternate Name(s) |
(2S,5S)-2-tert-butyl-5-methyl-1,3-dioxan-4-one
trans-(2S,5S)-2-t-butyl-5-methyl-1,3-dioxan-4-one |
| CAS Registry Number |
120065-55-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H16O3 |
| InChI |
InChI=1S/C9H16O3/c1-6-5-11-8(9(2,3)4)12-7(6)10/h6,8H,5H2,1-4H3/t6-,8-/m0/s1 |
| InChIKey |
IDAKACQLSWKCND-XPUUQOCRSA-N |
| Molecular Weight |
172.224 g/mol |
| SMILES |
C1(O[C@](OC[C@@]1(C)[H])(C(C)(C)C)[H])=O |
| SPLASH |
splash10-066r-9100000000-69982e40b3197bc0e759 |
| Source of Spectrum |
H-71-1151-3 |
| Wiley ID |
181876 |
