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

View entire compound with spectra: 1 NMR

Phthalic acid, butyl 2-(4-nitrophenoxy)ethyl ester
SpectraBase Compound ID GcvtvBblRPi
InChI InChI=1S/C20H21NO7/c1-2-3-12-27-19(22)17-6-4-5-7-18(17)20(23)28-14-13-26-16-10-8-15(9-11-16)21(24)25/h4-11H,2-3,12-14H2,1H3
InChIKey CJLHBYZWCIBCJL-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 2OpVWRGL039
Name Phthalic acid, butyl 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/c1-2-3-12-27-19(22)17-6-4-5-7-18(17)20(23)28-14-13-26-16-10-8-15(9-11-16)21(24)25/h4-11H,2-3,12-14H2,1H3
InChIKey CJLHBYZWCIBCJL-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)OCCCC