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Sebacic acid, 2-bromo-4-fluorophenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-bromo-4-fluorophenyl tetradecyl ester
SpectraBase Compound ID CXgbMnOUYu3
InChI InChI=1S/C30H48BrFO4/c1-2-3-4-5-6-7-8-9-10-13-16-19-24-35-29(33)20-17-14-11-12-15-18-21-30(34)36-28-23-22-26(32)25-27(28)31/h22-23,25H,2-21,24H2,1H3
InChIKey ASTWKSCIGPCYEI-UHFFFAOYSA-N
Mol Weight 571.6 g/mol
Molecular Formula C30H48BrFO4
Exact Mass 570.272001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 549PRFcX4AI
Name Sebacic acid, 2-bromo-4-fluorophenyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 570.272001185 u
Formula C30H48BrFO4
InChI InChI=1S/C30H48BrFO4/c1-2-3-4-5-6-7-8-9-10-13-16-19-24-35-29(33)20-17-14-11-12-15-18-21-30(34)36-28-23-22-26(32)25-27(28)31/h22-23,25H,2-21,24H2,1H3
InChIKey ASTWKSCIGPCYEI-UHFFFAOYSA-N
Molecular Weight 571.612 g/mol
SMILES C(CCCCCC(OC1=CC=C(C=C1Br)F)=O)CCC(OCCCCCCCCCCCCCC)=O