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Phthalic acid, 3-bromobenzyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-bromobenzyl undecyl ester
SpectraBase Compound ID 4XXKy3uXytd
InChI InChI=1S/C26H33BrO4/c1-2-3-4-5-6-7-8-9-12-18-30-25(28)23-16-10-11-17-24(23)26(29)31-20-21-14-13-15-22(27)19-21/h10-11,13-17,19H,2-9,12,18,20H2,1H3
InChIKey UOWPZCIUQJDPFF-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 8vfC7NZOEBH
Name Phthalic acid, 3-bromobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 488.156222539 u
Formula C26H33BrO4
InChI InChI=1S/C26H33BrO4/c1-2-3-4-5-6-7-8-9-12-18-30-25(28)23-16-10-11-17-24(23)26(29)31-20-21-14-13-15-22(27)19-21/h10-11,13-17,19H,2-9,12,18,20H2,1H3
InChIKey UOWPZCIUQJDPFF-UHFFFAOYSA-N
Molecular Weight 489.450 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCC)=O)C(OCC1=CC=CC(=C1)Br)=O