John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=C5llhnBSShw SpectraBase Spectrum ID=2BnAi1pJQyM

(accessed ).
(1R*,6R*,7S*,10S*)-10-ISOTHIOCYANATOCADIN-4-ENE
SpectraBase Compound ID C5llhnBSShw
InChI InChI=1S/C16H25NS/c1-11(2)13-7-8-16(4,17-10-18)15-6-5-12(3)9-14(13)15/h9,11,13-15H,5-8H2,1-4H3/t13-,14+,15+,16-/m0/s1
InChIKey SRYJMNDTUAKSRD-JJXSEGSLSA-N
Mol Weight 263.44 g/mol
Molecular Formula C16H25NS
Exact Mass 263.170772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2BnAi1pJQyM
Name (1R*,6R*,7S*,10S*)-10-ISOTHIOCYANATOCADIN-4-ENE
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H25NS
InChI InChI=1S/C16H25NS/c1-11(2)13-7-8-16(4,17-10-18)15-6-5-12(3)9-14(13)15/h9,11,13-15H,5-8H2,1-4H3/t13-,14+,15+,16-/m0/s1
InChIKey SRYJMNDTUAKSRD-JJXSEGSLSA-N
Literature Reference Author H.MITOME,N.SHIRATO,H.MIYAOKA,Y.YAMADA,R.W.M.VANSOEST
Literature Reference Citation J.NAT.PROD.,67,833(2004)
Literature Reference DOI 10.1021/np030458p
Molecular Weight 263.441 g/mol
Solvent CDCl3
Source File Reference UWMZ5785
SpectraBase Batch ID 6rUPnte3MvS