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ISOSARAIN-1,QUARTERNARY-NITROGENE

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ISOSARAIN-1,QUARTERNARY-NITROGENE
SpectraBase Compound ID 9ZFzkoW0h4v
InChI InChI=1S/C31H47N2O.ClH/c34-30-18-21-33-20-17-27-26-22-25-14-10-7-8-12-16-29(30)31(33)28(27)15-11-6-4-2-1-3-5-9-13-19-32(23-25)24-26;/h3,5,22-24,27-29,31H,1-2,4,6-21H2;1H/q+1;/p-1/b5-3-;/t27-,28+,29?,31+;/m0./s1
InChIKey RAKHCFMKROEIIH-ANGGISMZSA-M
Mol Weight 499.2 g/mol
Molecular Formula C31H47ClN2O
Exact Mass 498.337692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Xq2jJSFtOX
Name ISOSARAIN-1,QUARTERNARY-NITROGENE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H47ClN2O
InChI InChI=1S/C31H47N2O.ClH/c34-30-18-21-33-20-17-27-26-22-25-14-10-7-8-12-16-29(30)31(33)28(27)15-11-6-4-2-1-3-5-9-13-19-32(23-25)24-26;/h3,5,22-24,27-29,31H,1-2,4,6-21H2;1H/q+1;/p-1/b5-3-;/t27-,28+,29?,31+;/m0./s1
InChIKey RAKHCFMKROEIIH-ANGGISMZSA-M
Literature Reference Author G.CIMINO,A.SPINELLA,E.TRIVELLONE
Literature Reference Citation TETRAH.LETT.,30,133(1989)
Literature Reference DOI 10.1016/S0040-4039(01)80344-0
Molecular Weight 499.180 g/mol
Solvent CDCl3
Source File Reference UWED10718