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

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(3-bromophenyl)ethyl nonyl ester
SpectraBase Compound ID Aa4savGO2zP
InChI InChI=1S/C25H31BrO4/c1-2-3-4-5-6-7-10-17-29-24(27)22-14-8-9-15-23(22)25(28)30-18-16-20-12-11-13-21(26)19-20/h8-9,11-15,19H,2-7,10,16-18H2,1H3
InChIKey VKINLADCNUFQGS-UHFFFAOYSA-N
Mol Weight 475.42 g/mol
Molecular Formula C25H31BrO4
Exact Mass 474.140572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hv3g76TbiAd
Name Phthalic acid, 2-(3-bromophenyl)ethyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.140572474 u
Formula C25H31BrO4
InChI InChI=1S/C25H31BrO4/c1-2-3-4-5-6-7-10-17-29-24(27)22-14-8-9-15-23(22)25(28)30-18-16-20-12-11-13-21(26)19-20/h8-9,11-15,19H,2-7,10,16-18H2,1H3
InChIKey VKINLADCNUFQGS-UHFFFAOYSA-N
Molecular Weight 475.423 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC(=CC=C1)Br)=O)(OCCCCCCCCC)=O