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2-Amino-4-bromo-5-fluorophenol, 3ac derivative

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2-Amino-4-bromo-5-fluorophenol, 3ac derivative
SpectraBase Compound ID 4aQYn1GdJUs
InChI InChI=1S/C12H11BrFNO4/c1-6(16)15(7(2)17)11-4-9(13)10(14)5-12(11)19-8(3)18/h4-5H,1-3H3
InChIKey VEHQHHMVVLCLPC-UHFFFAOYSA-N
Mol Weight 332.13 g/mol
Molecular Formula C12H11BrFNO4
Exact Mass 330.985549 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L0Vx8ip2JGr
Name 2-Amino-4-bromo-5-fluorophenol, 3ac derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.985548997 u
Formula C12H11BrFNO4
InChI InChI=1S/C12H11BrFNO4/c1-6(16)15(7(2)17)11-4-9(13)10(14)5-12(11)19-8(3)18/h4-5H,1-3H3
InChIKey VEHQHHMVVLCLPC-UHFFFAOYSA-N
Molecular Weight 332.125 g/mol
SMILES C1(F)=C(C=C(C(=C1)OC(C)=O)N(C(C)=O)C(C)=O)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925661