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N-[(1R,4R)-1-butyl-4-(propanoylamino)octyl]propanamide

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

N-[(1R,4R)-1-butyl-4-(propanoylamino)octyl]propanamide
SpectraBase Compound ID 6jzghDb5t1k
InChI InChI=1S/C18H36N2O2/c1-5-9-11-15(19-17(21)7-3)13-14-16(12-10-6-2)20-18(22)8-4/h15-16H,5-14H2,1-4H3,(H,19,21)(H,20,22)/t15-,16-/m1/s1
InChIKey LENNLUVBDZTLNK-HZPDHXFCSA-N
Mol Weight 312.5 g/mol
Molecular Formula C18H36N2O2
Exact Mass 312.277678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lc22wO1HW7z
Name N-[(1R,4R)-1-Butyl-4-(propanoylamino)octyl]propanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.277678405 u
Formula C18H36N2O2
InChI InChI=1S/C18H36N2O2/c1-5-9-11-15(19-17(21)7-3)13-14-16(12-10-6-2)20-18(22)8-4/h15-16H,5-14H2,1-4H3,(H,19,21)(H,20,22)/t15-,16-/m1/s1
InChIKey LENNLUVBDZTLNK-HZPDHXFCSA-N
Molecular Weight 312.498 g/mol
SMILES C(N[C@@](CC[C@](NC(=O)CC)(CCCC)[H])(CCCC)[H])(=O)CC