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2-(Acridin-9-ylamino)-3-methyl-pentanoic acid

View entire compound with spectra: 1 NMR

2-(Acridin-9-ylamino)-3-methyl-pentanoic acid
SpectraBase Compound ID 31BpQRdJ4RR
InChI InChI=1S/C19H20N2O2/c1-3-12(2)17(19(22)23)21-18-13-8-4-6-10-15(13)20-16-11-7-5-9-14(16)18/h4-12,17H,3H2,1-2H3,(H,20,21)(H,22,23)
InChIKey VIXKCWTWOBFMSB-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 8oKUOGmv85V
Name 2-(Acridin-9-ylamino)-3-methyl-pentanoic acid
Comments Computed using HOSE algorithm
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Exact Mass 308.152477890 u
Formula C19H20N2O2
InChI InChI=1S/C19H20N2O2/c1-3-12(2)17(19(22)23)21-18-13-8-4-6-10-15(13)20-16-11-7-5-9-14(16)18/h4-12,17H,3H2,1-2H3,(H,20,21)(H,22,23)
InChIKey VIXKCWTWOBFMSB-UHFFFAOYSA-N
Molecular Weight 308.381 g/mol
SMILES C1(NC(C(=O)O)C(CC)C)=C2C(C=CC=C2)=NC2=C1C=CC=C2