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1-Phenazinecarboxylic acid, 6-[1-[(2-methylbenzoyl)oxy]ethyl]-, (.+-.)-
SpectraBase Compound ID 69PE656ZnrO
InChI InChI=1S/C23H18N2O4/c1-13-7-3-4-8-15(13)23(28)29-14(2)16-9-5-11-18-20(16)24-19-12-6-10-17(22(26)27)21(19)25-18/h3-12,14H,1-2H3,(H,26,27)
InChIKey NNTFKGQQERKNIR-UHFFFAOYSA-N
Mol Weight 386.41 g/mol
Molecular Formula C23H18N2O4
Exact Mass 386.126657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GNqlgK595Bz
Name 1-Phenazinecarboxylic acid, 6-[1-[(2-methylbenzoyl)oxy]ethyl]-, (.+-.)-
Comments Computed using HOSE algorithm
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Exact Mass 386.126657064 u
Formula C23H18N2O4
InChI InChI=1S/C23H18N2O4/c1-13-7-3-4-8-15(13)23(28)29-14(2)16-9-5-11-18-20(16)24-19-12-6-10-17(22(26)27)21(19)25-18/h3-12,14H,1-2H3,(H,26,27)
InChIKey NNTFKGQQERKNIR-UHFFFAOYSA-N
Molecular Weight 386.407 g/mol
SMILES C(=O)(O)C1=CC=CC2=C1N=C1C=CC=C(C1=N2)C(C)OC(=O)C1=CC=CC=C1C