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N-Isobutyl 2-bromo-5-fluorobenzamide

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N-Isobutyl 2-bromo-5-fluorobenzamide
SpectraBase Compound ID 60wV2hc8gvW
InChI InChI=1S/C11H13BrFNO/c1-7(2)6-14-11(15)9-5-8(13)3-4-10(9)12/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKey FDHFKYPOGPADGG-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 17SXu5mG4cM
Name N-Isobutyl 2-bromo-5-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/c1-7(2)6-14-11(15)9-5-8(13)3-4-10(9)12/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKey FDHFKYPOGPADGG-UHFFFAOYSA-N
Molecular Weight 274.133 g/mol
SMILES C1(F)=CC(=C(C=C1)Br)C(=O)NCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92265