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METACHROMINE-G

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METACHROMINE-G
SpectraBase Compound ID AVBa9PFKjeW
InChI InChI=1S/C29H37NO3/c1-20(14-17-29(4)16-8-9-21(2)22(29)3)12-13-24-27(32)25(19-26(31)28(24)33)30-18-15-23-10-6-5-7-11-23/h5-7,10-12,19,21,30,33H,3,8-9,13-18H2,1-2,4H3/b20-12+/t21-,29-/m1/s1
InChIKey LALPXZPYBKOUEK-IHFHYTMCSA-N
Mol Weight 447.6 g/mol
Molecular Formula C29H37NO3
Exact Mass 447.277344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID vPBstOEgR5
Name METACHROMINE-G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H37NO3
InChI InChI=1S/C29H37NO3/c1-20(14-17-29(4)16-8-9-21(2)22(29)3)12-13-24-27(32)25(19-26(31)28(24)33)30-18-15-23-10-6-5-7-11-23/h5-7,10-12,19,21,30,33H,3,8-9,13-18H2,1-2,4H3/b20-12+/t21-,29-/m1/s1
InChIKey LALPXZPYBKOUEK-IHFHYTMCSA-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 447.618 g/mol
Solvent CDCl3
Source File Reference UWCS3988