| SpectraBase Spectrum ID |
IgG55FRI6Kz |
| Name |
ethyl (E,4S,6S,8S)-2,4,6,8-tetramethylundec-2-enoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.240230268 u |
| Formula |
C17H32O2 |
| InChI |
InChI=1S/C17H32O2/c1-7-9-13(3)10-14(4)11-15(5)12-16(6)17(18)19-8-2/h12-15H,7-11H2,1-6H3/b16-12+/t13-,14-,15-/m0/s1 |
| InChIKey |
MSQVHHXXDRVQRH-IZGRLVBXSA-N |
| Instrument Name |
Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201800792 |
| Optical Rotation |
[a]D20 = 19.3 (c = 0.60, CHCl3) |
| Quality |
190 |
| Reported Formula |
C17H32O2 |
| SMILES |
[C@](C[C@@](C[C@](C)(\C=C\(C(OCC)=O)C)[H])(C)[H])(CCC)(C)[H] |
| SPLASH |
splash10-015i-9800000000-5b5d2c136c2f65a52106 |
| Sample Comments |
dr >99:1, E/Z > 99:1, >99% ee |
| Source of Spectrum |
ACI-57-SM99-(E)-4S,6S,8S-35 (DOI: 10.1002/anie.201800792) |
| Wiley ID |
1890718 |
