| SpectraBase Spectrum ID |
JQVuJzDXoA0 |
| Name |
3-Oxohexyl (S)-geranylcitronellate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H44O3 |
| InChI |
InChI=1S/C26H44O3/c1-7-11-25(27)18-19-29-26(28)20-24(6)17-10-16-23(5)15-9-14-22(4)13-8-12-21(2)3/h12,14,16,24H,7-11,13,15,17-20H2,1-6H3/b22-14+,23-16+/t24-/m0/s1 |
| InChIKey |
IJSQOIWTXKFMAY-UWZOZAKGSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbic.202100372 |
| Molecular Weight |
404.635 g/mol |
| Optical Rotation |
[a]D25.0 = -2.52 (c = 1.03, CH2Cl2) |
| Reported Formula |
C26H44O3 |
| SMILES |
C(C[C@@](CC(=O)OCCC(=O)CCC)(C)[H])\C=C\(CC\C=C/(C)CCC=C(C)C)C |
| SPLASH |
splash10-01c3-9600000000-d0420415a0f036eddad5 |
| Source of Spectrum |
CBC-22-SM11-(S)-9l |
| Wiley ID |
1865300 |
