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Phthalic acid, butyl 3-methoxy-4-nitrobenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, butyl 3-methoxy-4-nitrobenzyl ester
SpectraBase Compound ID HwNNyzwLleA
InChI InChI=1S/C20H21NO7/c1-3-4-11-27-19(22)15-7-5-6-8-16(15)20(23)28-13-14-9-10-17(21(24)25)18(12-14)26-2/h5-10,12H,3-4,11,13H2,1-2H3
InChIKey BDKOOPIPMHRLHV-UHFFFAOYSA-N
Mol Weight 387.39 g/mol
Molecular Formula C20H21NO7
Exact Mass 387.131802 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 83U10rpyFNk
Name Phthalic acid, butyl 3-methoxy-4-nitrobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 387.131802013 u
Formula C20H21NO7
InChI InChI=1S/C20H21NO7/c1-3-4-11-27-19(22)15-7-5-6-8-16(15)20(23)28-13-14-9-10-17(21(24)25)18(12-14)26-2/h5-10,12H,3-4,11,13H2,1-2H3
InChIKey BDKOOPIPMHRLHV-UHFFFAOYSA-N
Molecular Weight 387.388 g/mol
SMILES C(C1=CC=CC=C1C(=O)OCC1=CC(=C(C=C1)N(=O)=O)OC)(OCCCC)=O