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(1S*,3S*,4R*,7S*,8S*,12S*,13S*)-8-ISOCYANOAMPHILECTA-11(20),14-DIENE
SpectraBase Compound ID D5Ddv2PgEVy
InChI InChI=1S/C21H32N/c1-13(2)11-17-12-15(4)18-8-7-16(5)21(22-6)10-9-14(3)19(17)20(18)21/h6,11,15-20H,3,7-10,12H2,1-2,4-5H3/q+1/t15-,16-,17+,18+,19-,20-,21-/m0/s1
InChIKey MMQJJGDWTPXFBE-CZUPSRJTSA-N
Mol Weight 298.5 g/mol
Molecular Formula C21H32N
Exact Mass 298.253475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2SQ93ke80BK
Name (1S*,3S*,4R*,7S*,8S*,12S*,13S*)-8-ISOCYANOAMPHILECTA-11(20),14-DIENE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32N
InChI InChI=1S/C21H32N/c1-13(2)11-17-12-15(4)18-8-7-16(5)21(22-6)10-9-14(3)19(17)20(18)21/h6,11,15-20H,3,7-10,12H2,1-2,4-5H3/q+1/t15-,16-,17+,18+,19-,20-,21-/m0/s1
InChIKey MMQJJGDWTPXFBE-CZUPSRJTSA-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 298.492 g/mol
Solvent CDCl3
Source File Reference UWMZ5788