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Succinic acid, 3-methylbut-2-en-1-yl 2-bromo-4-fluorophenyl ester

View entire compound with spectra: 1 FTIR

Succinic acid, 3-methylbut-2-en-1-yl 2-bromo-4-fluorophenyl ester
SpectraBase Compound ID 61YH1T4Rmp5
InChI InChI=1S/C15H16BrFO4/c1-10(2)7-8-20-14(18)5-6-15(19)21-13-4-3-11(17)9-12(13)16/h3-4,7,9H,5-6,8H2,1-2H3
InChIKey SIJLJMXVATXXSC-UHFFFAOYSA-N
Mol Weight 359.19 g/mol
Molecular Formula C15H16BrFO4
Exact Mass 358.0216 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JhwUowdm50R
Name Succinic acid, 3-methylbut-2-en-1-yl 2-bromo-4-fluorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.021600154 u
Formula C15H16BrFO4
InChI InChI=1S/C15H16BrFO4/c1-10(2)7-8-20-14(18)5-6-15(19)21-13-4-3-11(17)9-12(13)16/h3-4,7,9H,5-6,8H2,1-2H3
InChIKey SIJLJMXVATXXSC-UHFFFAOYSA-N
Molecular Weight 359.191 g/mol
SMILES C(CC(OCC=C(C)C)=O)C(OC=1C=CC(=CC1Br)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887541