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AXISOTHIOCYANATE-3
SpectraBase Compound ID IfAISAYi5kz
InChI InChI=1S/C16H25NS/c1-11(2)14-6-5-13(4)16(15(14)17-10-18)8-7-12(3)9-16/h9,11,13-15H,5-8H2,1-4H3/t13-,14+,15-,16-/m0/s1
InChIKey QEUKPIZJCSOXDW-FZKCQIBNSA-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 IfNEaREXs45
Name AXISOTHIOCYANATE-3
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H25NS
InChI InChI=1S/C16H25NS/c1-11(2)14-6-5-13(4)16(15(14)17-10-18)8-7-12(3)9-16/h9,11,13-15H,5-8H2,1-4H3/t13-,14+,15-,16-/m0/s1
InChIKey QEUKPIZJCSOXDW-FZKCQIBNSA-N
Literature Reference Author P.JUMARYATNO,B.L.STAPLETON,J.N.A.HOOPER,D.J.BRECKNELL,J.T.BL ANCHFIELD,M.J.GARSON
Literature Reference Citation J.NAT.PROD.,70,1725(2007)
Literature Reference DOI 10.1021/np070156d
Molecular Weight 263.441 g/mol
Sample ID 31017
Solvent CDCl3