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Benzamide, 3-chloro-2-fluoro-N-(2-pentyl)-N-hexyl-
SpectraBase Compound ID LpbDYhscTjU
InChI InChI=1S/C18H27ClFNO/c1-4-6-7-8-13-21(14(3)10-5-2)18(22)15-11-9-12-16(19)17(15)20/h9,11-12,14H,4-8,10,13H2,1-3H3
InChIKey UFIAGZGWKIWTGS-UHFFFAOYSA-N
Mol Weight 327.87 g/mol
Molecular Formula C18H27ClFNO
Exact Mass 327.17652 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LRDbURgEuWD
Name Benzamide, 3-chloro-2-fluoro-N-(2-pentyl)-N-hexyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 327.176520355 u
Formula C18H27ClFNO
InChI InChI=1S/C18H27ClFNO/c1-4-6-7-8-13-21(14(3)10-5-2)18(22)15-11-9-12-16(19)17(15)20/h9,11-12,14H,4-8,10,13H2,1-3H3
InChIKey UFIAGZGWKIWTGS-UHFFFAOYSA-N
Molecular Weight 327.871 g/mol
SMILES C(C1=C(C(=CC=C1)Cl)F)(N(CCCCCC)C(CCC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859524