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Phthalic acid, 2-(2-bromophenyl)ethyl decyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(2-bromophenyl)ethyl decyl ester
SpectraBase Compound ID EwXiJwMAN8s
InChI InChI=1S/C26H33BrO4/c1-2-3-4-5-6-7-8-13-19-30-25(28)22-15-10-11-16-23(22)26(29)31-20-18-21-14-9-12-17-24(21)27/h9-12,14-17H,2-8,13,18-20H2,1H3
InChIKey HYDMPRCLBJFDRY-UHFFFAOYSA-N
Mol Weight 489.5 g/mol
Molecular Formula C26H33BrO4
Exact Mass 488.156223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8LwXvgmecoy
Name Phthalic acid, 2-(2-bromophenyl)ethyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 488.156222539 u
Formula C26H33BrO4
InChI InChI=1S/C26H33BrO4/c1-2-3-4-5-6-7-8-13-19-30-25(28)22-15-10-11-16-23(22)26(29)31-20-18-21-14-9-12-17-24(21)27/h9-12,14-17H,2-8,13,18-20H2,1H3
InChIKey HYDMPRCLBJFDRY-UHFFFAOYSA-N
Molecular Weight 489.450 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=CC=C1Br)=O)(OCCCCCCCCCC)=O