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5-(Acridin-9-ylamino)-pentanoic acid methyl ester
SpectraBase Compound ID EWNol2UpKgD
InChI InChI=1S/C19H20N2O2/c1-23-18(22)12-6-7-13-20-19-14-8-2-4-10-16(14)21-17-11-5-3-9-15(17)19/h2-5,8-11H,6-7,12-13H2,1H3,(H,20,21)
InChIKey SNFUECDEOFBMPN-UHFFFAOYSA-N
Mol Weight 308.38 g/mol
Molecular Formula C19H20N2O2
Exact Mass 308.152478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 68sEofJNER1
Name 5-(Acridin-9-ylamino)-pentanoic acid methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 308.152477890 u
Formula C19H20N2O2
InChI InChI=1S/C19H20N2O2/c1-23-18(22)12-6-7-13-20-19-14-8-2-4-10-16(14)21-17-11-5-3-9-15(17)19/h2-5,8-11H,6-7,12-13H2,1H3,(H,20,21)
InChIKey SNFUECDEOFBMPN-UHFFFAOYSA-N
Molecular Weight 308.381 g/mol
SMILES C1(=C2C(C=CC=C2)=NC2=C1C=CC=C2)NCCCCC(=O)OC