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Phthalic acid, 3-methylphenyl 2-nitrophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methylphenyl 2-nitrophenyl ester
SpectraBase Compound ID 3sBNCjwESAn
InChI InChI=1S/C21H15NO6/c1-14-7-6-8-15(13-14)27-20(23)16-9-2-3-10-17(16)21(24)28-19-12-5-4-11-18(19)22(25)26/h2-13H,1H3
InChIKey OACGCAUIBUJUHA-UHFFFAOYSA-N
Mol Weight 377.35 g/mol
Molecular Formula C21H15NO6
Exact Mass 377.089937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3PEITADm68V
Name Phthalic acid, 3-methylphenyl 2-nitrophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 377.089937201 u
Formula C21H15NO6
InChI InChI=1S/C21H15NO6/c1-14-7-6-8-15(13-14)27-20(23)16-9-2-3-10-17(16)21(24)28-19-12-5-4-11-18(19)22(25)26/h2-13H,1H3
InChIKey OACGCAUIBUJUHA-UHFFFAOYSA-N
Molecular Weight 377.352 g/mol
SMILES C1(=C(C=CC=C1)C(OC1=CC(C)=CC=C1)=O)C(OC1=CC=CC=C1N(=O)=O)=O