| SpectraBase Spectrum ID |
19O2jsLOULE |
| Name |
ethyl (4S)-4,8,12-trimethyltrideca-2,7,11-trienoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H30O2 |
| InChI |
InChI=1S/C18H30O2/c1-6-20-18(19)14-13-17(5)12-8-11-16(4)10-7-9-15(2)3/h9,11,13-14,17H,6-8,10,12H2,1-5H3/t17-/m0/s1 |
| InChIKey |
XRYWOKDTBJWPRI-KRWDZBQOSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202002297 |
| Molecular Weight |
278.436 g/mol |
| Optical Rotation |
[a]D20 = +1.4 (c = 1.0, CHCl3) |
| Reported Formula |
C18H30O2 |
| SMILES |
C(=CCCC(=CCC[C@@](C=CC(OCC)=O)(C)[H])C)(C)C |
| SPLASH |
splash10-0gbc-4900000000-21275fb1b66ea3bb1ae6 |
| Sample Comments |
E/Z = 92:8, 81% ee, 81% ee |
| Source of Spectrum |
QE-76-SM32-(S)-3l |
| Wiley ID |
1843548 |
