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

View entire compound with spectra: 1 NMR

Phthalic acid, 1-(3-bromophenyl)ethyl decyl ester
SpectraBase Compound ID GmdzHIG90qA
InChI InChI=1S/C26H33BrO4/c1-3-4-5-6-7-8-9-12-18-30-25(28)23-16-10-11-17-24(23)26(29)31-20(2)21-14-13-15-22(27)19-21/h10-11,13-17,19-20H,3-9,12,18H2,1-2H3
InChIKey OPMIEPFKVIMYRQ-UHFFFAOYSA-N
Mol Weight 489.5 g/mol
Molecular Formula C26H33BrO4
Exact Mass 488.156223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GOD1zwDQzO2
Name Phthalic acid, 1-(3-bromophenyl)ethyl decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.156222539 u
Formula C26H33BrO4
InChI InChI=1S/C26H33BrO4/c1-3-4-5-6-7-8-9-12-18-30-25(28)23-16-10-11-17-24(23)26(29)31-20(2)21-14-13-15-22(27)19-21/h10-11,13-17,19-20H,3-9,12,18H2,1-2H3
InChIKey OPMIEPFKVIMYRQ-UHFFFAOYSA-N
Molecular Weight 489.450 g/mol
SMILES C(C1=CC=CC=C1C(OC(C=1C=C(C=CC1)Br)C)=O)(OCCCCCCCCCC)=O