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Succinic acid, 1,1,1-trifluoroprop-2-yl 2-bromo-4-fluorophenyl ester

View entire compound with spectra: 1 FTIR

Succinic acid, 1,1,1-trifluoroprop-2-yl 2-bromo-4-fluorophenyl ester
SpectraBase Compound ID 29lTcSviKXi
InChI InChI=1S/C13H11BrF4O4/c1-7(13(16,17)18)21-11(19)4-5-12(20)22-10-3-2-8(15)6-9(10)14/h2-3,6-7H,4-5H2,1H3
InChIKey SCADHSSELGOOAG-UHFFFAOYSA-N
Mol Weight 387.12 g/mol
Molecular Formula C13H11BrF4O4
Exact Mass 385.977684 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hp2QhYcc7Cp
Name Succinic acid, 1,1,1-trifluoroprop-2-yl 2-bromo-4-fluorophenyl ester
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 385.977684482 u
Formula C13H11BrF4O4
InChI InChI=1S/C13H11BrF4O4/c1-7(13(16,17)18)21-11(19)4-5-12(20)22-10-3-2-8(15)6-9(10)14/h2-3,6-7H,4-5H2,1H3
InChIKey SCADHSSELGOOAG-UHFFFAOYSA-N
Molecular Weight 387.125 g/mol
SMILES C(CC(OC(C)C(F)(F)F)=O)C(OC=1C=CC(=CC1Br)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848303