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(1S*,3S*,4R*,7S*,8S*,12S*,13S*)-7-isocyano-15-isothiocyanatoamphilect-11(20)-ene
SpectraBase Compound ID B3QjqBbPFrK
InChI InChI=1S/C22H33N2S/c1-14-7-8-18-20-17(9-10-22(18,5)23-6)15(2)11-16(19(14)20)12-21(3,4)24-13-25/h6,15-20H,1,7-12H2,2-5H3/q+1/t15-,16-,17+,18-,19-,20+,22-/m1/s1
InChIKey NPNUPPJKUHSSIK-PFOGKZASSA-N
Mol Weight 357.6 g/mol
Molecular Formula C22H33N2S
Exact Mass 357.236445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xYjUzbuS7P
Name (1S*,3S*,4R*,7S*,8S*,12S*,13S*)-7-ISOCYANO-15-ISOTHIOCYANATOAMPHILECT-11(20)-ENE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H33N2S
InChI InChI=1S/C22H33N2S/c1-14-7-8-18-20-17(9-10-22(18,5)23-6)15(2)11-16(19(14)20)12-21(3,4)24-13-25/h6,15-20H,1,7-12H2,2-5H3/q+1/t15-,16-,17+,18-,19-,20+,22-/m1/s1
InChIKey NPNUPPJKUHSSIK-PFOGKZASSA-N
Literature Reference Author G.M.KOENIG,A.D.WRIGHT,C.K.ANGERHOFER
Literature Reference Citation J.ORG.CHEM.,61,3259(1996)
Literature Reference DOI 10.1021/jo952015z
Molecular Weight 357.577 g/mol
Solvent CDCl3
Source File Reference WANG1736