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METACHROMINE-H

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METACHROMINE-H
SpectraBase Compound ID 2AIsRfgeCVF
InChI InChI=1S/C26H39NO3/c1-17(2)12-15-27-22-16-23(28)25(30)21(24(22)29)10-9-18(3)11-14-26(6)13-7-8-19(4)20(26)5/h9,16-17,19,27,30H,5,7-8,10-15H2,1-4,6H3/b18-9+/t19-,26-/m1/s1
InChIKey AVRVYKVSLACIEA-BXSSVVBZSA-N
Mol Weight 413.6 g/mol
Molecular Formula C26H39NO3
Exact Mass 413.292994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1sKaKV54cWu
Name METACHROMINE-H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H39NO3
InChI InChI=1S/C26H39NO3/c1-17(2)12-15-27-22-16-23(28)25(30)21(24(22)29)10-9-18(3)11-14-26(6)13-7-8-19(4)20(26)5/h9,16-17,19,27,30H,5,7-8,10-15H2,1-4,6H3/b18-9+/t19-,26-/m1/s1
InChIKey AVRVYKVSLACIEA-BXSSVVBZSA-N
Literature Reference Author J.KOBAYASHI,K.NAITOH,T.SASAKI,H.SHIGEMORI
Literature Reference Citation J.ORG.CHEM.,57,5773(1992)
Literature Reference DOI 10.1021/jo00047a039
Molecular Weight 413.601 g/mol
Solvent CDCl3
Source File Reference UWCS3989