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(3S*,5R*,6R*,9R*)-3-ISOCYANO-1(10)-CADINENE

View entire compound with spectra: 1 NMR

(3S*,5R*,6R*,9R*)-3-ISOCYANO-1(10)-CADINENE
SpectraBase Compound ID CwCZmAz2UCC
InChI InChI=1S/C16H26N/c1-11(2)13-7-6-12(3)14-8-9-16(4,17-5)10-15(13)14/h5,8,11-13,15H,6-7,9-10H2,1-4H3/q+1/t12-,13-,15-,16+/m1/s1
InChIKey ACBJUDDOWIXYSO-XOUADPBQSA-N
Mol Weight 232.39 g/mol
Molecular Formula C16H26N
Exact Mass 232.206525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DBy1M1jvAc9
Name (3S*,5R*,6R*,9R*)-3-ISOCYANO-1(10)-CADINENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H26N
InChI InChI=1S/C16H26N/c1-11(2)13-7-6-12(3)14-8-9-16(4,17-5)10-15(13)14/h5,8,11-13,15H,6-7,9-10H2,1-4H3/q+1/t12-,13-,15-,16+/m1/s1
InChIKey ACBJUDDOWIXYSO-XOUADPBQSA-N
Literature Reference Author R.S.COMPAGNONE,D.J.FAULKNER
Literature Reference Citation J.NAT.PROD.,58,145(1995)
Literature Reference DOI 10.1021/np50115a024
Molecular Weight 232.389 g/mol
Solvent Unknown
Source File Reference UWVP68