John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HHXId1GX3Wz SpectraBase Spectrum ID=10vr4c54Txv

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AMBIGUINE_H_ISONITRILE
SpectraBase Compound ID HHXId1GX3Wz
InChI InChI=1S/C26H33N2/c1-9-24(3,4)22-21-19-16(12-11-13-18(19)28-22)25(5,6)17-14-15-26(7,10-2)23(27-8)20(17)21/h8-13,17,20,23,28H,1-2,14-15H2,3-7H3/q+1/t17-,20-,23+,26-/m0/s1
InChIKey KQWAKTWJWYLNME-CSOFANMDSA-N
Mol Weight 373.6 g/mol
Molecular Formula C26H33N2
Exact Mass 373.264374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10vr4c54Txv
Name AMBIGUINE_H_ISONITRILE
Compound Number 1
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H33N2
InChI InChI=1S/C26H33N2/c1-9-24(3,4)22-21-19-16(12-11-13-18(19)28-22)25(5,6)17-14-15-26(7,10-2)23(27-8)20(17)21/h8-13,17,20,23,28H,1-2,14-15H2,3-7H3/q+1/t17-,20-,23+,26-/m0/s1
InChIKey KQWAKTWJWYLNME-CSOFANMDSA-N
Literature Reference Author A.RAVEH,S.CARMELI
Literature Reference Citation J.NAT.PROD.,70,196(2007)
Literature Reference DOI 10.1021/np060495r
Molecular Weight 373.561 g/mol
Sample ID 29592
Solvent CDCl3
SpectraBase Batch ID GplYSE4Y1jm