| SpectraBase Spectrum ID |
Cq1dyxaob6w |
| Name |
1,2-13C2-3-Ethyloxycarbonyl-E,E-farnesylacetone |
| Alternate Name(s) |
(4E,8E)-5,9,13-trimethyl-2-(1-oxoethyl)tetradeca-4,8,12-trienoic acid ethyl ester
Ethyl (4E,8E)-2-acetyl-5,9,13-trimethyltetradeca-4,8,12-trienoate
Ethyl (4E,8E)-2-acetyl-5,9,13-trimethyl-tetradeca-4,8,12-trienoate
Ethyl (4E,8E)-2-ethanoyl-5,9,13-trimethyl-tetradeca-4,8,12-trienoate |
| Comments |
Original formula: C19[13C]2H34O3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H34O3 |
| InChI |
InChI=1S/C21H34O3/c1-7-24-21(23)20(19(6)22)15-14-18(5)13-9-12-17(4)11-8-10-16(2)3/h10,12,14,20H,7-9,11,13,15H2,1-6H3/b17-12+,18-14+/i6+1,19+1 |
| InChIKey |
GHXUMRYRVPOWGD-UUYHNIHESA-N |
| Molecular Weight |
336.485 g/mol |
| SMILES |
[13CH3][13C](C(C(=O)OCC)C\C=C\(CC\C=C\(CCC=C(C)C)C)C)=O |
| SPLASH |
splash10-0btj-0910000000-441f2fccacaf150031de |
| Source of Spectrum |
F-56-2507-10 |
| Wiley ID |
856625 |
