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Phthalic acid, 4-bromobenzyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-bromobenzyl nonyl ester
SpectraBase Compound ID KvpCkWQAMky
InChI InChI=1S/C24H29BrO4/c1-2-3-4-5-6-7-10-17-28-23(26)21-11-8-9-12-22(21)24(27)29-18-19-13-15-20(25)16-14-19/h8-9,11-16H,2-7,10,17-18H2,1H3
InChIKey VZZXCCYXPJPOQU-UHFFFAOYSA-N
Mol Weight 461.4 g/mol
Molecular Formula C24H29BrO4
Exact Mass 460.124922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Up5ZlwQCx4
Name Phthalic acid, 4-bromobenzyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.124922410 u
Formula C24H29BrO4
InChI InChI=1S/C24H29BrO4/c1-2-3-4-5-6-7-10-17-28-23(26)21-11-8-9-12-22(21)24(27)29-18-19-13-15-20(25)16-14-19/h8-9,11-16H,2-7,10,17-18H2,1H3
InChIKey VZZXCCYXPJPOQU-UHFFFAOYSA-N
Molecular Weight 461.396 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCC)=O)C(OCC1=CC=C(C=C1)Br)=O