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Phthalic acid, isobutyl 2-(4-nitrophenoxy)ethyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, isobutyl 2-(4-nitrophenoxy)ethyl ester
SpectraBase Compound ID 5fQtTyGHQTY
InChI InChI=1S/C20H21NO7/c1-14(2)13-28-20(23)18-6-4-3-5-17(18)19(22)27-12-11-26-16-9-7-15(8-10-16)21(24)25/h3-10,14H,11-13H2,1-2H3
InChIKey IHBYLTQAHYCLJO-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 D1vfKRwNzJF
Name Phthalic acid, isobutyl 2-(4-nitrophenoxy)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 387.131802013 u
Formula C20H21NO7
InChI InChI=1S/C20H21NO7/c1-14(2)13-28-20(23)18-6-4-3-5-17(18)19(22)27-12-11-26-16-9-7-15(8-10-16)21(24)25/h3-10,14H,11-13H2,1-2H3
InChIKey IHBYLTQAHYCLJO-UHFFFAOYSA-N
Molecular Weight 387.388 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCCOC1=CC=C(C=C1)N(=O)=O)C(=O)OCC(C)C