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2,7,11,12-TRIAZAPENTACYCLO-[11.2.1.0(2,7).0(8,15).0(10,14)]-HEXADEC-4-ENE-11-SPIROPYRROLINIUM-CHLORIDE
SpectraBase Compound ID 9FiV06D3nTE
InChI InChI=1S/C16H23N4.ClH/c1-2-6-19-13-10-14-15-11(17-20(14)7-3-4-8-20)9-12(16(13)15)18(19)5-1;/h1-4,11-17H,5-10H2;1H/q+1;/p-1/t11-,12+,13-,14+,15?,16?;/m0./s1
InChIKey RWNQCOJPWOORIW-FYUQLWAISA-M
Mol Weight 306.84 g/mol
Molecular Formula C16H23ClN4
Exact Mass 306.161124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3SSOCvMHyvB
Name 2,7,11,12-TRIAZAPENTACYCLO-[11.2.1.0(2,7).0(8,15).0(10,14)]-HEXADEC-4-ENE-11-SPIROPYRROLINIUM-CHLORIDE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H23ClN4
InChI InChI=1S/C16H23N4.ClH/c1-2-6-19-13-10-14-15-11(17-20(14)7-3-4-8-20)9-12(16(13)15)18(19)5-1;/h1-4,11-17H,5-10H2;1H/q+1;/p-1/t11-,12+,13-,14+,15?,16?;/m0./s1
InChIKey RWNQCOJPWOORIW-FYUQLWAISA-M
Literature Reference Author K.EXNER,M.HEIZMANN,F.YANG,M.KEGEL,M.KELLER,L.KNOTHE,B.GROSSM ANN,J.HEINZE,H.PRINZ
Literature Reference Citation EUR.J.ORG.CHEM.,1311(2005)
Molecular Weight 306.838 g/mol
Sample ID 30879
Solvent CDCl3