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Phthalic acid, 2-(3-bromophenyl)ethyl isobutyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(3-bromophenyl)ethyl isobutyl ester
SpectraBase Compound ID cwRwvKM8k2
InChI InChI=1S/C20H21BrO4/c1-14(2)13-25-20(23)18-9-4-3-8-17(18)19(22)24-11-10-15-6-5-7-16(21)12-15/h3-9,12,14H,10-11,13H2,1-2H3
InChIKey ARALGHDGXPQMMM-UHFFFAOYSA-N
Mol Weight 405.29 g/mol
Molecular Formula C20H21BrO4
Exact Mass 404.062322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9dNanGIaqIL
Name Phthalic acid, 2-(3-bromophenyl)ethyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.062322152 u
Formula C20H21BrO4
InChI InChI=1S/C20H21BrO4/c1-14(2)13-25-20(23)18-9-4-3-8-17(18)19(22)24-11-10-15-6-5-7-16(21)12-15/h3-9,12,14H,10-11,13H2,1-2H3
InChIKey ARALGHDGXPQMMM-UHFFFAOYSA-N
Molecular Weight 405.288 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC(=CC=C1)Br)=O)(OCC(C)C)=O