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Phthalic acid, 2-(4-bromophenoxy)ethyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(4-bromophenoxy)ethyl undecyl ester
SpectraBase Compound ID KB5pOtuD1U
InChI InChI=1S/C27H35BrO5/c1-2-3-4-5-6-7-8-9-12-19-32-26(29)24-13-10-11-14-25(24)27(30)33-21-20-31-23-17-15-22(28)16-18-23/h10-11,13-18H,2-9,12,19-21H2,1H3
InChIKey ROJPDMHJWHQHSS-UHFFFAOYSA-N
Mol Weight 519.5 g/mol
Molecular Formula C27H35BrO5
Exact Mass 518.166787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HhZfPq32vkP
Name Phthalic acid, 2-(4-bromophenoxy)ethyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 518.166787222 u
Formula C27H35BrO5
InChI InChI=1S/C27H35BrO5/c1-2-3-4-5-6-7-8-9-12-19-32-26(29)24-13-10-11-14-25(24)27(30)33-21-20-31-23-17-15-22(28)16-18-23/h10-11,13-18H,2-9,12,19-21H2,1H3
InChIKey ROJPDMHJWHQHSS-UHFFFAOYSA-N
Molecular Weight 519.476 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCCOC1=CC=C(C=C1)Br)C(=O)OCCCCCCCCCCC