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Methyl 2-{[(4-bromo-2-isopropyl-5-methylphenoxy)acetyl]amino}benzoate

View entire compound with spectra: 2 NMR

Methyl 2-{[(4-bromo-2-isopropyl-5-methylphenoxy)acetyl]amino}benzoate
SpectraBase Compound ID FPry0jqPIm0
InChI InChI=1S/C20H22BrNO4/c1-12(2)15-10-16(21)13(3)9-18(15)26-11-19(23)22-17-8-6-5-7-14(17)20(24)25-4/h5-10,12H,11H2,1-4H3,(H,22,23)
InChIKey CXXBBSQZOVAFPR-UHFFFAOYSA-N
Mol Weight 420.3 g/mol
Molecular Formula C20H22BrNO4
Exact Mass 419.073221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JX7MhglUIaJ
Name Methyl 2-{[(4-bromo-2-isopropyl-5-methylphenoxy)acetyl]amino}benzoate
Comments Computed using HOSE algorithm
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Exact Mass 419.073221188 u
Formula C20H22BrNO4
InChI InChI=1S/C20H22BrNO4/c1-12(2)15-10-16(21)13(3)9-18(15)26-11-19(23)22-17-8-6-5-7-14(17)20(24)25-4/h5-10,12H,11H2,1-4H3,(H,22,23)
InChIKey CXXBBSQZOVAFPR-UHFFFAOYSA-N
Molecular Weight 420.303 g/mol
SMILES N(C1=C(C(=O)OC)C=CC=C1)C(=O)COC=1C(=CC(=C(C1)C)Br)C(C)C