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Phthalic acid, 4-bromobenzyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-bromobenzyl undecyl ester
SpectraBase Compound ID 9V8cgNa426s
InChI InChI=1S/C26H33BrO4/c1-2-3-4-5-6-7-8-9-12-19-30-25(28)23-13-10-11-14-24(23)26(29)31-20-21-15-17-22(27)18-16-21/h10-11,13-18H,2-9,12,19-20H2,1H3
InChIKey IFFNLIHJIWDKCI-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 BnaaqEepXRK
Name Phthalic acid, 4-bromobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 488.156222539 u
Formula C26H33BrO4
InChI InChI=1S/C26H33BrO4/c1-2-3-4-5-6-7-8-9-12-19-30-25(28)23-13-10-11-14-24(23)26(29)31-20-21-15-17-22(27)18-16-21/h10-11,13-18H,2-9,12,19-20H2,1H3
InChIKey IFFNLIHJIWDKCI-UHFFFAOYSA-N
Molecular Weight 489.450 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCC)=O)C(OCC1=CC=C(C=C1)Br)=O