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THEONELLIN_ISOTHIOCYANATE
SpectraBase Compound ID 4zCJEb64M2x
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
Mol Weight 263.44 g/mol
Molecular Formula C16H25NS
Exact Mass 263.170771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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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