| SpectraBase Spectrum ID |
L1JVjAjFmrm |
| Name |
2-Buten-1-one, 1-(2,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-, [1R-[1.alpha.(E),4.alpha.]]- |
| Alternate Name(s) |
(2E)-1-[(1R,4S)-2,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-2-en-1-yl]-2-buten-1-one
3,6-Epoxy-.alpha.-damascone |
| CAS Registry Number |
56083-36-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-5-6-11(14)13-9(2)7-10(15-13)8-12(13,3)4/h5-7,10H,8H2,1-4H3/b6-5+/t10-,13-/m0/s1 |
| InChIKey |
KYYJGRLZZOEAKB-BXQPDHIASA-N |
| Molecular Weight |
206.285 g/mol |
| SMILES |
[C@]12(C(=C[C@@](O2)([H])CC1(C)C)C)C(\C=C\C)=O |
| SPLASH |
splash10-00kn-9400000000-f32306e1093e5ebf9e48 |
| Source of Spectrum |
H-56-2033-7 |
| Wiley ID |
1204672 |
![2-Buten-1-one, 1-(2,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-, [1R-[1.alpha.(E),4.alpha.]]-](/api/spectrum/L1JVjAjFmrm/structure.png?h=300&w=458 "2-Buten-1-one, 1-(2,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-, [1R-[1.alpha.(E),4.alpha.]]-")
