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Benzamide, 4-bromo-N-(2-pentyl)-N-hexyl-

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Benzamide, 4-bromo-N-(2-pentyl)-N-hexyl-
SpectraBase Compound ID CabVMBfjrrE
InChI InChI=1S/C18H28BrNO/c1-4-6-7-8-14-20(15(3)9-5-2)18(21)16-10-12-17(19)13-11-16/h10-13,15H,4-9,14H2,1-3H3
InChIKey WAMKZMJZNYGNOF-UHFFFAOYSA-N
Mol Weight 354.33 g/mol
Molecular Formula C18H28BrNO
Exact Mass 353.135428 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HAAcGMECRNe
Name Benzamide, 4-bromo-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 353.135427525 u
Formula C18H28BrNO
InChI InChI=1S/C18H28BrNO/c1-4-6-7-8-14-20(15(3)9-5-2)18(21)16-10-12-17(19)13-11-16/h10-13,15H,4-9,14H2,1-3H3
InChIKey WAMKZMJZNYGNOF-UHFFFAOYSA-N
Molecular Weight 354.332 g/mol
SMILES C(N(C(CCC)C)C(=O)C=1C=CC(=CC1)Br)CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928266