| SpectraBase Spectrum ID |
45KK104Nnwv |
| Name |
Ethyl (S)-6-(3,7-dimethyloct-6-en-1-yl)nicotinate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H27NO2 |
| InChI |
InChI=1S/C18H27NO2/c1-5-21-18(20)16-10-12-17(19-13-16)11-9-15(4)8-6-7-14(2)3/h7,10,12-13,15H,5-6,8-9,11H2,1-4H3/t15-/m0/s1 |
| InChIKey |
BLIUTKLFJRWBSW-HNNXBMFYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201914490 |
| Optical Rotation |
[a]D20 = 5 (c = 0.75, CHCl3) |
| Reported Formula |
C18H27NO2 |
| SMILES |
c1c(cnc(c1)CC[C@](CCC=C(C)C)(C)[H])C(OCC)=O |
| SPLASH |
splash10-014i-0910000000-d2dc1cf5ba1225232944 |
| Source of Spectrum |
ACI-59-SM16-3i |
| Wiley ID |
1857654 |
