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Octanamide, N-benzyl-N-hexyl-

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Octanamide, N-benzyl-N-hexyl-
SpectraBase Compound ID LKTt689seaI
InChI InChI=1S/C21H35NO/c1-3-5-7-9-13-17-21(23)22(18-14-8-6-4-2)19-20-15-11-10-12-16-20/h10-12,15-16H,3-9,13-14,17-19H2,1-2H3
InChIKey GJTGORIMRUXESQ-UHFFFAOYSA-N
Mol Weight 317.5 g/mol
Molecular Formula C21H35NO
Exact Mass 317.271865 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LnjrjAxpjAt
Name Octanamide, N-benzyl-N-hexyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.271864750 u
Formula C21H35NO
InChI InChI=1S/C21H35NO/c1-3-5-7-9-13-17-21(23)22(18-14-8-6-4-2)19-20-15-11-10-12-16-20/h10-12,15-16H,3-9,13-14,17-19H2,1-2H3
InChIKey GJTGORIMRUXESQ-UHFFFAOYSA-N
Molecular Weight 317.517 g/mol
SMILES C(N(CCCCCC)CC1=CC=CC=C1)(=O)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966929