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6-(Acridin-9-ylamino)-hexanoic acid methyl ester

View entire compound with spectra: 1 NMR

6-(Acridin-9-ylamino)-hexanoic acid methyl ester
SpectraBase Compound ID JFKNro1xHUZ
InChI InChI=1S/C20H22N2O2/c1-24-19(23)13-3-2-8-14-21-20-15-9-4-6-11-17(15)22-18-12-7-5-10-16(18)20/h4-7,9-12H,2-3,8,13-14H2,1H3,(H,21,22)
InChIKey OLXMDTUJYGTLAK-UHFFFAOYSA-N
Mol Weight 322.41 g/mol
Molecular Formula C20H22N2O2
Exact Mass 322.168128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ALwemDehG0W
Name 6-(Acridin-9-ylamino)-hexanoic acid methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 322.168127954 u
Formula C20H22N2O2
InChI InChI=1S/C20H22N2O2/c1-24-19(23)13-3-2-8-14-21-20-15-9-4-6-11-17(15)22-18-12-7-5-10-16(18)20/h4-7,9-12H,2-3,8,13-14H2,1H3,(H,21,22)
InChIKey OLXMDTUJYGTLAK-UHFFFAOYSA-N
Molecular Weight 322.408 g/mol
SMILES C1(=C2C(C=CC=C2)=NC2=C1C=CC=C2)NCCCCCC(=O)OC