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1-[(4,8-Dimethoxyfuro[2,3-B]quinolin-7-yl)oxy]-3-methyl-2,3-butanediol, tms
SpectraBase Compound ID 1SNjv3UBJ70
InChI InChI=1S/C21H29NO6Si/c1-21(2,23)16(28-29(5,6)7)12-27-15-9-8-13-17(19(15)25-4)22-20-14(10-11-26-20)18(13)24-3/h8-11,16,23H,12H2,1-7H3
InChIKey RXTUPOFAPASXAO-UHFFFAOYSA-N
Mol Weight 419.55 g/mol
Molecular Formula C21H29NO6Si
Exact Mass 419.176414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9szTEU9ugnV
Name 1-[(4,8-Dimethoxyfuro[2,3-B]quinolin-7-yl)oxy]-3-methyl-2,3-butanediol, tms
Comments Computed using HOSE algorithm
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Exact Mass 419.176414187 u
Formula C21H29NO6Si
InChI InChI=1S/C21H29NO6Si/c1-21(2,23)16(28-29(5,6)7)12-27-15-9-8-13-17(19(15)25-4)22-20-14(10-11-26-20)18(13)24-3/h8-11,16,23H,12H2,1-7H3
InChIKey RXTUPOFAPASXAO-UHFFFAOYSA-N
Molecular Weight 419.549 g/mol
SMILES C12=NC=3C(C(=C1C=CO2)OC)=CC=C(C3OC)OCC(O[Si](C)(C)C)C(O)(C)C