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MONOMETHIODIDE (N5-METHYL)-TRANS-QUINOLIZIDINE
SpectraBase Compound ID 1NGg2PENlhV
InChI InChI=1S/C31H45N2O2S.HI/c1-22-4-6-27(24-10-14-34-16-24)32-19-30(12-8-26(22)32)18-31(36-21-30)13-9-28-23(2)5-7-29(33(28,3)20-31)25-11-15-35-17-25;/h10-11,14-17,22-23,26-29H,4-9,12-13,18-21H2,1-3H3;1H/q+1;/p-1/t22?,23-,26?,27?,28-,29+,30?,31+,33+;/m1./s1
InChIKey DUAOEFLCZDCWIN-XYWVJXTBSA-M
Mol Weight 636.7 g/mol
Molecular Formula C31H45IN2O2S
Exact Mass 636.224645 g/mol
Parent InChIKey RBWSNJAQHJJZAS-KUNVNWJESA-M
Enantiomer InChIKey DUAOEFLCZDCWIN-SRWFFGHOSA-M
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Solvent CDCl3 chloroform-d

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