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Benzamide, 4-bromo-N-propyl-N-(2-ethylhexyl)-

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Benzamide, 4-bromo-N-propyl-N-(2-ethylhexyl)-
SpectraBase Compound ID 70JXoGcOv95
InChI InChI=1S/C18H28BrNO/c1-4-7-8-15(6-3)14-20(13-5-2)18(21)16-9-11-17(19)12-10-16/h9-12,15H,4-8,13-14H2,1-3H3
InChIKey SWTSNSDWTZRMGR-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 2HuGYmOGyaI
Name Benzamide, 4-bromo-N-propyl-N-(2-ethylhexyl)-
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/c1-4-7-8-15(6-3)14-20(13-5-2)18(21)16-9-11-17(19)12-10-16/h9-12,15H,4-8,13-14H2,1-3H3
InChIKey SWTSNSDWTZRMGR-UHFFFAOYSA-N
Molecular Weight 354.332 g/mol
SMILES C(=O)(N(CCC)CC(CCCC)CC)C=1C=CC(=CC1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.820995