| SpectraBase Spectrum ID |
LHzZ8bE5qlG |
| Name |
3-Oxohexyl (S,E)-2,3-dihydrofarnesoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H36O3 |
| InChI |
InChI=1S/C21H36O3/c1-6-9-20(22)14-15-24-21(23)16-19(5)13-8-12-18(4)11-7-10-17(2)3/h10,12,19H,6-9,11,13-16H2,1-5H3/b18-12+/t19-/m0/s1 |
| InChIKey |
WCJKCHCJXAHDQE-GQEMFKIVSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbic.202100372 |
| Molecular Weight |
336.516 g/mol |
| Optical Rotation |
[a]D25.0 = -1.85 (c = 0.81, CH2Cl2) |
| Reported Formula |
C21H36O3 |
| SMILES |
C(C[C@@](CC(=O)OCCC(CCC)=O)(C)[H])\C=C\(CCC=C(C)C)C |
| SPLASH |
splash10-0axu-7900000000-ce77425fcb0a9a32ddd8 |
| Source of Spectrum |
CBC-22-SM51-(S)-8l |
| Wiley ID |
1865293 |
