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

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Phthalic acid, butyl 2-(2-nitrophenyl)ethyl ester
SpectraBase Compound ID Lcku3kiPlzR
InChI InChI=1S/C20H21NO6/c1-2-3-13-26-19(22)16-9-5-6-10-17(16)20(23)27-14-12-15-8-4-7-11-18(15)21(24)25/h4-11H,2-3,12-14H2,1H3
InChIKey MPEMNHVDPNTZMH-UHFFFAOYSA-N
Mol Weight 371.39 g/mol
Molecular Formula C20H21NO6
Exact Mass 371.136887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 61lEBq4souj
Name Phthalic acid, butyl 2-(2-nitrophenyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 371.136887394 u
Formula C20H21NO6
InChI InChI=1S/C20H21NO6/c1-2-3-13-26-19(22)16-9-5-6-10-17(16)20(23)27-14-12-15-8-4-7-11-18(15)21(24)25/h4-11H,2-3,12-14H2,1H3
InChIKey MPEMNHVDPNTZMH-UHFFFAOYSA-N
Molecular Weight 371.389 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=CC=C1N(=O)=O)=O)(OCCCC)=O