SpectraBase Spectrum ID |
AcvbtPTKIxs |
Name |
THEONELLIN_ISOTHIOCYANATE |
Compound Number |
2 |
Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula |
C16H25NS |
InChI |
InChI=1S/C16H25NS/c1-13(2)6-5-7-14(3)15-8-10-16(4,11-9-15)17-12-18/h5-7,13,15H,8-11H2,1-4H3/b6-5+,14-7+/t15-,16- |
InChIKey |
ODKXKBHVDFQUQQ-QACOOCLTSA-N |
Literature Reference Author |
A.D.WRIGHT,P.J.SCHUPP,J.P.SCHROER,A.ENGEMANN,S.ROHDE,D.KELMA
N,N.DEVOOGD,A.CARROL |
Literature Reference Citation |
J.NAT.PROD.,75,502(2012) |
Literature Reference DOI |
10.1021/np200939d |
Molecular Weight |
263.441 g/mol |
Sample ID |
40213 |
Solvent |
CDCl3 |