| SpectraBase Spectrum ID |
H6VehIece8l |
| Name |
Hexyl (S)-geranylcitronellate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H46O2 |
| InChI |
InChI=1S/C26H46O2/c1-7-8-9-10-20-28-26(27)21-25(6)19-13-18-24(5)17-12-16-23(4)15-11-14-22(2)3/h14,16,18,25H,7-13,15,17,19-21H2,1-6H3/b23-16+,24-18+/t25-/m0/s1 |
| InChIKey |
QMKMWHUUWVLZOO-BAZISGOMSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbic.202100372 |
| Molecular Weight |
390.652 g/mol |
| Optical Rotation |
[a]D25.0 = -3.01 (c = 1.03, CH2Cl2) |
| Reported Formula |
C26H46O2 |
| SMILES |
C(C[C@@](CC(=O)OCCCCCC)(C)[H])\C=C\(CC\C=C/(C)CCC=C(C)C)C |
| SPLASH |
splash10-014l-9400000000-38b2dfc4203cc28acf57 |
| Source of Spectrum |
CBC-22-SM12-(S)-9j |
| Wiley ID |
1865299 |
