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N-[(1R,5R)-1-methyl-5-(propanoylamino)hexyl]propanamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N-[(1R,5R)-1-methyl-5-(propanoylamino)hexyl]propanamide
SpectraBase Compound ID 4ukF4Pi947z
InChI InChI=1S/C13H26N2O2/c1-5-12(16)14-10(3)8-7-9-11(4)15-13(17)6-2/h10-11H,5-9H2,1-4H3,(H,14,16)(H,15,17)/t10-,11-/m1/s1
InChIKey VBNANLSSBZCMPX-GHMZBOCLSA-N
Mol Weight 242.36 g/mol
Molecular Formula C13H26N2O2
Exact Mass 242.199428 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KpZUmw6AVT
Name N-[(1R,5R)-1-Methyl-5-(propanoylamino)hexyl]propanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.199428083 u
Formula C13H26N2O2
InChI InChI=1S/C13H26N2O2/c1-5-12(16)14-10(3)8-7-9-11(4)15-13(17)6-2/h10-11H,5-9H2,1-4H3,(H,14,16)(H,15,17)/t10-,11-/m1/s1
InChIKey VBNANLSSBZCMPX-GHMZBOCLSA-N
Molecular Weight 242.363 g/mol
SMILES C(N[C@@](CCC[C@](NC(=O)CC)(C)[H])(C)[H])(=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.988092