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T-Butyl 3-bromo-4-fluorobenzamide

View entire compound with spectra: 1 FTIR

T-Butyl 3-bromo-4-fluorobenzamide
SpectraBase Compound ID Avh6eCpEAS5
InChI InChI=1S/C11H13BrFNO/c1-11(2,3)14-10(15)7-4-5-9(13)8(12)6-7/h4-6H,1-3H3,(H,14,15)
InChIKey DCQTUUIYIQBVMU-UHFFFAOYSA-N
Mol Weight 274.13 g/mol
Molecular Formula C11H13BrFNO
Exact Mass 273.016455 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AY2QGI3ALn8
Name T-Butyl 3-bromo-4-fluorobenzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 273.016455205 u
Formula C11H13BrFNO
InChI InChI=1S/C11H13BrFNO/c1-11(2,3)14-10(15)7-4-5-9(13)8(12)6-7/h4-6H,1-3H3,(H,14,15)
InChIKey DCQTUUIYIQBVMU-UHFFFAOYSA-N
Molecular Weight 274.133 g/mol
SMILES C1(F)=C(C=C(C=C1)C(=O)NC(C)(C)C)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858757