| SpectraBase Spectrum ID |
4vINFEUf2ng |
| Name |
3-Buten-2-one, 4-(1,2-dihydroxy-2,6,6-trimethylcyclohexyl)-, [1S-[1.alpha.,1(E),2.alpha.]]- |
| Alternate Name(s) |
(3E)-4-[(1S,2S)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-3-buten-2-one
(5S,6S)-5,6-dihydroxy-5,6-dihydro-.beta.-ionone |
| CAS Registry Number |
80924-36-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H22O3 |
| InChI |
InChI=1S/C13H22O3/c1-10(14)6-9-13(16)11(2,3)7-5-8-12(13,4)15/h6,9,15-16H,5,7-8H2,1-4H3/b9-6+/t12-,13-/m0/s1 |
| InChIKey |
AYWGPQFATRWJMF-BNDLJXMOSA-N |
| Molecular Weight |
226.316 g/mol |
| SMILES |
O[C@@]1([C@](\C=C\C(=O)C)(C(CCC1)(C)C)O)C |
| SPLASH |
splash10-0006-9200000000-3bbf52fa09e4b2d06ccf |
| Source of Spectrum |
H-64-2689-0 |
| Wiley ID |
1227544 |
![3-Buten-2-one, 4-(1,2-dihydroxy-2,6,6-trimethylcyclohexyl)-, [1S-[1.alpha.,1(E),2.alpha.]]-](/api/spectrum/4vINFEUf2ng/structure.png?h=300&w=458 "3-Buten-2-one, 4-(1,2-dihydroxy-2,6,6-trimethylcyclohexyl)-, [1S-[1.alpha.,1(E),2.alpha.]]-")
