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Brucine, dihydrate
SpectraBase Compound ID KjQhUBwldkb
InChI InChI=1S/C23H26N2O4.2H2O/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;;/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;2*1H2/t13-,18-,19-,21-,22-,23+;;/m0../s1
InChIKey VWLBJWIPYIYRBM-FIMIILAWSA-N
Mol Weight 430.501 g/mol
Molecular Formula C23H30N2O6
Exact Mass 430.210387 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DO5RESvxKMS
Name brucine, dihydrate
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Formula C23H30N2O6
InChI InChI=1S/C23H26N2O4.2H2O/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;;/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;2*1H2/t13-,18-,19-,21-,22-,23+;;/m0../s1
InChIKey VWLBJWIPYIYRBM-FIMIILAWSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 45555M
Solvent Polysol-d