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Aconitine or breakdown (to mass 500)
SpectraBase Compound ID 6QOSH9eCsNw
InChI InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26+,27+,28-,29+,31+,32-,33+,34-/m1/s1
InChIKey XFSBVAOIAHNAPC-XZHDXZNSSA-N
Mol Weight 645.7 g/mol
Molecular Formula C34H47NO11
Exact Mass 645.314911 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1oUs4pnKk0B
Name aconitine
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Formula C34H47NO11
InChI InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26+,27+,28-,29+,31+,32-,33+,34-/m1/s1
InChIKey XFSBVAOIAHNAPC-XZHDXZNSSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 27568M
Solvent CDCl3