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

View entire compound with spectra: 1 FTIR

Benzamide, 3-chloro-2-fluoro-N-(2-butyl)-N-hexadecyl-
SpectraBase Compound ID D89igrNJ7C0
InChI InChI=1S/C27H45ClFNO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-30(23(3)5-2)27(31)24-20-19-21-25(28)26(24)29/h19-21,23H,4-18,22H2,1-3H3
InChIKey QAYZJYVADBPSNC-UHFFFAOYSA-N
Mol Weight 454.1 g/mol
Molecular Formula C27H45ClFNO
Exact Mass 453.317371 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H4Cg30CL9y8
Name Benzamide, 3-chloro-2-fluoro-N-(2-butyl)-N-hexadecyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.317370935 u
Formula C27H45ClFNO
InChI InChI=1S/C27H45ClFNO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-30(23(3)5-2)27(31)24-20-19-21-25(28)26(24)29/h19-21,23H,4-18,22H2,1-3H3
InChIKey QAYZJYVADBPSNC-UHFFFAOYSA-N
Molecular Weight 454.114 g/mol
SMILES C(N(C(CC)C)C(=O)C=1C(F)=C(C=CC1)Cl)CCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.852986