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AXINISOTHIOCYANATE_M

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AXINISOTHIOCYANATE_M
SpectraBase Compound ID LmjRwG8vs9a
InChI InChI=1S/C16H25NOS/c1-12(2)16(18)9-8-14(3)6-5-7-15(4,17-11-19)13(14)10-16/h13,18H,1,5-10H2,2-4H3/t13-,14-,15-,16+/m1/s1
InChIKey KKOPPOVHLGSDFF-FPCVCCKLSA-N
Mol Weight 279.44 g/mol
Molecular Formula C16H25NOS
Exact Mass 279.165686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2cljVpSQwBV
Name AXINISOTHIOCYANATE_M
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H25NOS
InChI InChI=1S/C16H25NOS/c1-12(2)16(18)9-8-14(3)6-5-7-15(4,17-11-19)13(14)10-16/h13,18H,1,5-10H2,2-4H3/t13-,14-,15-,16+/m1/s1
InChIKey KKOPPOVHLGSDFF-FPCVCCKLSA-N
Literature Reference Author E.ZUBIA,M.J.ORTEGA,J.L.CARBALLO
Literature Reference Citation J.NAT.PROD.,71,2004(2008)
Literature Reference DOI 10.1021/np800465n
Molecular Weight 279.441 g/mol
Sample ID 29423
Solvent CDCl3