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

View entire compound with spectra: 1 NMR, and 1 FTIR

Sebacic acid, 2-bromo-4-fluorophenyl propyl ester
SpectraBase Compound ID G7pfgKrzMqm
InChI InChI=1S/C19H26BrFO4/c1-2-13-24-18(22)9-7-5-3-4-6-8-10-19(23)25-17-12-11-15(21)14-16(17)20/h11-12,14H,2-10,13H2,1H3
InChIKey AREPZDHYFJTHCV-UHFFFAOYSA-N
Mol Weight 417.32 g/mol
Molecular Formula C19H26BrFO4
Exact Mass 416.09985 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 986phBK4fFM
Name Sebacic acid, 2-bromo-4-fluorophenyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.099850476 u
Formula C19H26BrFO4
InChI InChI=1S/C19H26BrFO4/c1-2-13-24-18(22)9-7-5-3-4-6-8-10-19(23)25-17-12-11-15(21)14-16(17)20/h11-12,14H,2-10,13H2,1H3
InChIKey AREPZDHYFJTHCV-UHFFFAOYSA-N
Molecular Weight 417.315 g/mol
SMILES C(CCCCCC(OC1=CC=C(C=C1Br)F)=O)CCC(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.804892