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7-ISOCYANO-7,8-DIHYDRO-ALPHA-BISABOLENE
SpectraBase Compound ID DyFVNIRC30i
InChI InChI=1S/C16H26N/c1-13(2)7-6-12-16(4,17-5)15-10-8-14(3)9-11-15/h5,7-8,15H,6,9-12H2,1-4H3/q+1/t15-,16-/m1/s1
InChIKey DKUQVTXCBUTHQE-HZPDHXFCSA-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 Atvx2CK2Wfl
Name 7-ISOCYANO-7,8-DIHYDRO-ALPHA-BISABOLENE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H26N
InChI InChI=1S/C16H26N/c1-13(2)7-6-12-16(4,17-5)15-10-8-14(3)9-11-15/h5,7-8,15H,6,9-12H2,1-4H3/q+1/t15-,16-/m1/s1
InChIKey DKUQVTXCBUTHQE-HZPDHXFCSA-N
Literature Reference Author P.JUMARYATNO,B.L.STAPLETON,J.N.A.HOOPER,D.J.BRECKNELL,J.T.BL ANCHFIELD,M.J.GARSON
Literature Reference Citation J.NAT.PROD.,70,1725(2007)
Literature Reference DOI 10.1021/np070156d
Molecular Weight 232.389 g/mol
Sample ID 31014
Solvent CDCl3