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Phthalic acid, 2-(2-nitrophenyl)ethyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(2-nitrophenyl)ethyl nonyl ester
SpectraBase Compound ID 18q8kRPYBbm
InChI InChI=1S/C25H31NO6/c1-2-3-4-5-6-7-12-18-31-24(27)21-14-9-10-15-22(21)25(28)32-19-17-20-13-8-11-16-23(20)26(29)30/h8-11,13-16H,2-7,12,17-19H2,1H3
InChIKey LCGSVKVIUAPKGA-UHFFFAOYSA-N
Mol Weight 441.52 g/mol
Molecular Formula C25H31NO6
Exact Mass 441.215138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JG09kJNgHmS
Name Phthalic acid, 2-(2-nitrophenyl)ethyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 441.215137716 u
Formula C25H31NO6
InChI InChI=1S/C25H31NO6/c1-2-3-4-5-6-7-12-18-31-24(27)21-14-9-10-15-22(21)25(28)32-19-17-20-13-8-11-16-23(20)26(29)30/h8-11,13-16H,2-7,12,17-19H2,1H3
InChIKey LCGSVKVIUAPKGA-UHFFFAOYSA-N
Molecular Weight 441.524 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=CC=C1N(=O)=O)=O)(OCCCCCCCCC)=O