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Benzamide, 2-bromo-N-(2-pentyl)-N-(3-methylbutyl)-
SpectraBase Compound ID EptSmHMkehI
InChI InChI=1S/C17H26BrNO/c1-5-8-14(4)19(12-11-13(2)3)17(20)15-9-6-7-10-16(15)18/h6-7,9-10,13-14H,5,8,11-12H2,1-4H3
InChIKey KEGWCYOBUKCGIR-UHFFFAOYSA-N
Mol Weight 340.31 g/mol
Molecular Formula C17H26BrNO
Exact Mass 339.119777 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AaEDvC7A7Do
Name Benzamide, 2-bromo-N-(2-pentyl)-N-(3-methylbutyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.119777460 u
Formula C17H26BrNO
InChI InChI=1S/C17H26BrNO/c1-5-8-14(4)19(12-11-13(2)3)17(20)15-9-6-7-10-16(15)18/h6-7,9-10,13-14H,5,8,11-12H2,1-4H3
InChIKey KEGWCYOBUKCGIR-UHFFFAOYSA-N
Molecular Weight 340.305 g/mol
SMILES C(N(C(CCC)C)C(=O)C=1C(Br)=CC=CC1)CC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923791