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Terephthalic acid, 2-bromophenethyl heptyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 2-bromophenethyl heptyl ester
SpectraBase Compound ID Floxg4J9jq8
InChI InChI=1S/C23H27BrO4/c1-2-3-4-5-8-16-27-22(25)19-11-13-20(14-12-19)23(26)28-17-15-18-9-6-7-10-21(18)24/h6-7,9-14H,2-5,8,15-17H2,1H3
InChIKey ZTGKWGPSRNRWOI-UHFFFAOYSA-N
Mol Weight 447.37 g/mol
Molecular Formula C23H27BrO4
Exact Mass 446.109272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3jz9msmeL1h
Name Terephthalic acid, 2-bromophenethyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.109272345 u
Formula C23H27BrO4
InChI InChI=1S/C23H27BrO4/c1-2-3-4-5-8-16-27-22(25)19-11-13-20(14-12-19)23(26)28-17-15-18-9-6-7-10-21(18)24/h6-7,9-14H,2-5,8,15-17H2,1H3
InChIKey ZTGKWGPSRNRWOI-UHFFFAOYSA-N
Molecular Weight 447.369 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCC)=O)C(=O)OCCC1=C(C=CC=C1)Br