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

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(3-bromophenyl)ethyl undecyl ester
SpectraBase Compound ID LAvldR4YQoQ
InChI InChI=1S/C27H35BrO4/c1-2-3-4-5-6-7-8-9-12-19-31-26(29)24-16-10-11-17-25(24)27(30)32-20-18-22-14-13-15-23(28)21-22/h10-11,13-17,21H,2-9,12,18-20H2,1H3
InChIKey XAPZDPAQBOLZBM-UHFFFAOYSA-N
Mol Weight 503.5 g/mol
Molecular Formula C27H35BrO4
Exact Mass 502.171873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EpX9yLfQfdr
Name Phthalic acid, 2-(3-bromophenyl)ethyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 502.171872603 u
Formula C27H35BrO4
InChI InChI=1S/C27H35BrO4/c1-2-3-4-5-6-7-8-9-12-19-31-26(29)24-16-10-11-17-25(24)27(30)32-20-18-22-14-13-15-23(28)21-22/h10-11,13-17,21H,2-9,12,18-20H2,1H3
InChIKey XAPZDPAQBOLZBM-UHFFFAOYSA-N
Molecular Weight 503.477 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC(=CC=C1)Br)=O)(OCCCCCCCCCCC)=O