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3-Ethyl 2-methyl phenanthro[9,10-b]furan-2,3-dicarboxylate
SpectraBase Compound ID 93hKa7vmQg1
InChI InChI=1S/C21H16O5/c1-3-25-20(22)17-16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)18(16)26-19(17)21(23)24-2/h4-11H,3H2,1-2H3
InChIKey HQFTVTAVONOKOV-UHFFFAOYSA-N
Mol Weight 348.35 g/mol
Molecular Formula C21H16O5
Exact Mass 348.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4FNbNAVkvTu
Name 3-Ethyl 2-methyl phenanthro[9,10-B]furan-2,3-dicarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 348.099773610 u
Formula C21H16O5
InChI InChI=1S/C21H16O5/c1-3-25-20(22)17-16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)18(16)26-19(17)21(23)24-2/h4-11H,3H2,1-2H3
InChIKey HQFTVTAVONOKOV-UHFFFAOYSA-N
Molecular Weight 348.354 g/mol
SMILES C1(=C(OC=2C1=C1C(=C3C=CC=CC23)C=CC=C1)C(=O)OC)C(=O)OCC