Cinchonine triphenyltin adduct

SpectraBase Compound ID	4Mpzy5lEntx
InChI	InChI=1S/C19H23N2O.3C6H5.Sn/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;31-2-4-6-5-3-1;/h3-7,9,13-14,18-19,22H,1-2,8,10-12H2;31-5H;
InChIKey	WWSLDIDSHDTHFM-UHFFFAOYSA-N Google Search
Mol Weight	645.4 g/mol
Molecular Formula	C37H38N2OSn
Exact Mass	646.200616 g/mol

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SpectraBase Spectrum ID	BuKiIyo8Vv9
Name	Cinchonine triphenyltin adduct
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	646.200615851 u
Formula	C37H38N2OSn
InChI	InChI=1S/C19H23N2O.3C6H5.Sn/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;31-2-4-6-5-3-1;/h3-7,9,13-14,18-19,22H,1-2,8,10-12H2;31-5H;
InChIKey	WWSLDIDSHDTHFM-UHFFFAOYSA-N
Molecular Weight	645.435 g/mol
SMILES	C1=CC(=CC=C1)[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)CCC1CN2C(CC1CC2)C(O)C1=CC=NC2=C1C=CC=C2