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Benzamide, 3-methyl-N-(2-pentyl)-N-butyl-
SpectraBase Compound ID KNy16UylYZb
InChI InChI=1S/C17H27NO/c1-5-7-12-18(15(4)9-6-2)17(19)16-11-8-10-14(3)13-16/h8,10-11,13,15H,5-7,9,12H2,1-4H3
InChIKey AQOHWVWOHNAWAN-UHFFFAOYSA-N
Mol Weight 261.41 g/mol
Molecular Formula C17H27NO
Exact Mass 261.209264 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EWf3rQF8gM2
Name Benzamide, 3-methyl-N-(2-pentyl)-N-butyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.209264492 u
Formula C17H27NO
InChI InChI=1S/C17H27NO/c1-5-7-12-18(15(4)9-6-2)17(19)16-11-8-10-14(3)13-16/h8,10-11,13,15H,5-7,9,12H2,1-4H3
InChIKey AQOHWVWOHNAWAN-UHFFFAOYSA-N
Molecular Weight 261.409 g/mol
SMILES C(N(CCCC)C(CCC)C)(=O)C=1C=C(C=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959315