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4-CHLOROMETHYLSTEMMADENINIUM-CHLORIDE

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4-CHLOROMETHYLSTEMMADENINIUM-CHLORIDE
SpectraBase Compound ID 2E02BHVITWU
InChI InChI=1S/C22H28ClN2O3.ClH/c1-3-15-12-25(14-23)10-8-17-16-6-4-5-7-19(16)24-20(17)22(13-26,21(27)28-2)18(15)9-11-25;/h3-7,18,24,26H,8-14H2,1-2H3;1H/q+1;/p-1/b15-3+;/t18-,22-,25?;/m0./s1
InChIKey OZIDWALYEBREPX-QNGKCNQSSA-M
Mol Weight 439.38 g/mol
Molecular Formula C22H28Cl2N2O3
Exact Mass 438.147698 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7MucHfp850f
Name 4-CHLOROMETHYLSTEMMADENINIUM-CHLORIDE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28Cl2N2O3
InChI InChI=1S/C22H28ClN2O3.ClH/c1-3-15-12-25(14-23)10-8-17-16-6-4-5-7-19(16)24-20(17)22(13-26,21(27)28-2)18(15)9-11-25;/h3-7,18,24,26H,8-14H2,1-2H3;1H/q+1;/p-1/b15-3+;/t18-,22-,25?;/m0./s1
InChIKey OZIDWALYEBREPX-QNGKCNQSSA-M
Literature Reference Author H.ACHENBACH,M.BENIRSCHKE,R.TORRENEGRA
Literature Reference Citation PHYTOCHEM.,45,325(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00645-0
Molecular Weight 439.382 g/mol
Solvent CD3OD
Source File Reference UWSP1331