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Phthalic acid, 1-(3-bromophenyl)ethyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 1-(3-bromophenyl)ethyl undecyl ester
SpectraBase Compound ID GBDeP0Hi3eO
InChI InChI=1S/C27H35BrO4/c1-3-4-5-6-7-8-9-10-13-19-31-26(29)24-17-11-12-18-25(24)27(30)32-21(2)22-15-14-16-23(28)20-22/h11-12,14-18,20-21H,3-10,13,19H2,1-2H3
InChIKey WRIUENYQWUCUSD-UHFFFAOYSA-N
Mol Weight 503.5 g/mol
Molecular Formula C27H35BrO4
Exact Mass 502.171873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2OfTaFJgKIQ
Name Phthalic acid, 1-(3-bromophenyl)ethyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 502.171872603 u
Formula C27H35BrO4
InChI InChI=1S/C27H35BrO4/c1-3-4-5-6-7-8-9-10-13-19-31-26(29)24-17-11-12-18-25(24)27(30)32-21(2)22-15-14-16-23(28)20-22/h11-12,14-18,20-21H,3-10,13,19H2,1-2H3
InChIKey WRIUENYQWUCUSD-UHFFFAOYSA-N
Molecular Weight 503.477 g/mol
SMILES C(C1=CC=CC=C1C(OC(C=1C=C(C=CC1)Br)C)=O)(OCCCCCCCCCCC)=O