| SpectraBase Spectrum ID |
EnWWlYZufRQ |
| Name |
3-Buten-2-one, 4-(5-hydroxy-2,6,6-trimethyl-2-cyclohexen-1-yl)-, [1S-[1.alpha.(E),5.beta.]]- |
| Alternate Name(s) |
(+)-(2S,6S)-2-Hydroxy-.alpha.-ionone
(3E)-4-[(1S,5R)-5-hydroxy-2,6,6-trimethyl-2-cyclohexen-1-yl]-3-buten-2-one |
| CAS Registry Number |
79435-20-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H20O2 |
| InChI |
InChI=1S/C13H20O2/c1-9-5-8-12(15)13(3,4)11(9)7-6-10(2)14/h5-7,11-12,15H,8H2,1-4H3/b7-6+/t11-,12+/m0/s1 |
| InChIKey |
HEGYTNOVZBKKAI-FNSAGKMKSA-N |
| Molecular Weight |
208.301 g/mol |
| SMILES |
O[C@]1(C([C@@](\C=C\C(=O)C)(C(=CC1)C)[H])(C)C)[H] |
| SPLASH |
splash10-0006-7900000000-52095f4f5a67ee4922ac |
| Source of Spectrum |
H-64-951-0 |
| Wiley ID |
1207115 |
![3-Buten-2-one, 4-(5-hydroxy-2,6,6-trimethyl-2-cyclohexen-1-yl)-, [1S-[1.alpha.(E),5.beta.]]-](/api/spectrum/EnWWlYZufRQ/structure.png?h=300&w=458 "3-Buten-2-one, 4-(5-hydroxy-2,6,6-trimethyl-2-cyclohexen-1-yl)-, [1S-[1.alpha.(E),5.beta.]]-")
