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

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(4-bromophenoxy)ethyl dodecyl ester
SpectraBase Compound ID CY9nvxKxBIF
InChI InChI=1S/C28H37BrO5/c1-2-3-4-5-6-7-8-9-10-13-20-33-27(30)25-14-11-12-15-26(25)28(31)34-22-21-32-24-18-16-23(29)17-19-24/h11-12,14-19H,2-10,13,20-22H2,1H3
InChIKey XHRICMNZBULCOR-UHFFFAOYSA-N
Mol Weight 533.5 g/mol
Molecular Formula C28H37BrO5
Exact Mass 532.182437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EnY7PyRQlrY
Name Phthalic acid, 2-(4-bromophenoxy)ethyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 532.182437286 u
Formula C28H37BrO5
InChI InChI=1S/C28H37BrO5/c1-2-3-4-5-6-7-8-9-10-13-20-33-27(30)25-14-11-12-15-26(25)28(31)34-22-21-32-24-18-16-23(29)17-19-24/h11-12,14-19H,2-10,13,20-22H2,1H3
InChIKey XHRICMNZBULCOR-UHFFFAOYSA-N
Molecular Weight 533.503 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCCOC1=CC=C(C=C1)Br)C(=O)OCCCCCCCCCCCC