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

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(4-bromophenoxy)ethyl butyl ester
SpectraBase Compound ID HWzuRpL3dG4
InChI InChI=1S/C20H21BrO5/c1-2-3-12-25-19(22)17-6-4-5-7-18(17)20(23)26-14-13-24-16-10-8-15(21)9-11-16/h4-11H,2-3,12-14H2,1H3
InChIKey YULIMMDZAKYTNL-UHFFFAOYSA-N
Mol Weight 421.29 g/mol
Molecular Formula C20H21BrO5
Exact Mass 420.057237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L60mHfvQbHJ
Name Phthalic acid, 2-(4-bromophenoxy)ethyl butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.057236771 u
Formula C20H21BrO5
InChI InChI=1S/C20H21BrO5/c1-2-3-12-25-19(22)17-6-4-5-7-18(17)20(23)26-14-13-24-16-10-8-15(21)9-11-16/h4-11H,2-3,12-14H2,1H3
InChIKey YULIMMDZAKYTNL-UHFFFAOYSA-N
Molecular Weight 421.287 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCCOC1=CC=C(C=C1)Br)C(=O)OCCCC