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Benzamide, 3-chloro-2-fluoro-N-(2-butyl)-N-ethyl-

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Benzamide, 3-chloro-2-fluoro-N-(2-butyl)-N-ethyl-
SpectraBase Compound ID 904nXDMs6W1
InChI InChI=1S/C13H17ClFNO/c1-4-9(3)16(5-2)13(17)10-7-6-8-11(14)12(10)15/h6-9H,4-5H2,1-3H3
InChIKey KXQUIHSHRGQMRV-UHFFFAOYSA-N
Mol Weight 257.74 g/mol
Molecular Formula C13H17ClFNO
Exact Mass 257.09827 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1vv655lQYfi
Name Benzamide, 3-chloro-2-fluoro-N-(2-butyl)-N-ethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.098270033 u
Formula C13H17ClFNO
InChI InChI=1S/C13H17ClFNO/c1-4-9(3)16(5-2)13(17)10-7-6-8-11(14)12(10)15/h6-9H,4-5H2,1-3H3
InChIKey KXQUIHSHRGQMRV-UHFFFAOYSA-N
Molecular Weight 257.736 g/mol
SMILES C(N(C(CC)C)C(=O)C=1C(F)=C(C=CC1)Cl)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941205