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1-(8-Methyl-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-7-yl)propyl ethanoate
SpectraBase Compound ID HSSXNwZnrnt
InChI InChI=1S/C21H20N2O3/c1-4-19(26-13(3)24)16-10-18-20-15(11-23(18)21(25)12(16)2)9-14-7-5-6-8-17(14)22-20/h5-10,19H,4,11H2,1-3H3
InChIKey IXJCSPATZKEPFU-UHFFFAOYSA-N
Mol Weight 348.4 g/mol
Molecular Formula C21H20N2O3
Exact Mass 348.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ht40LkZxWoT
Name 1-(8-Methyl-9-oxidanylidene-11H-indolizino[1,2-B]quinolin-7-yl)propyl ethanoate
Comments Computed using HOSE algorithm
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Exact Mass 348.147392509 u
Formula C21H20N2O3
InChI InChI=1S/C21H20N2O3/c1-4-19(26-13(3)24)16-10-18-20-15(11-23(18)21(25)12(16)2)9-14-7-5-6-8-17(14)22-20/h5-10,19H,4,11H2,1-3H3
InChIKey IXJCSPATZKEPFU-UHFFFAOYSA-N
Molecular Weight 348.402 g/mol
SMILES C=12N(CC3=CC4=CC=CC=C4N=C23)C(C(=C(C1)C(OC(=O)C)CC)C)=O