N-[(1R,4R)-1-hexyl-4-(propanoylamino)decyl]propanamide

SpectraBase Compound ID	CslTGSYYQdg
InChI	InChI=1S/C22H44N2O2/c1-5-9-11-13-15-19(23-21(25)7-3)17-18-20(24-22(26)8-4)16-14-12-10-6-2/h19-20H,5-18H2,1-4H3,(H,23,25)(H,24,26)/t19-,20-/m1/s1
InChIKey	SDZCVNXBLXOKPE-WOJBJXKFSA-N Google Search
Mol Weight	368.6 g/mol
Molecular Formula	C22H44N2O2
Exact Mass	368.340279 g/mol

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SpectraBase Spectrum ID	5wKuDEFgCj3
Name	N-[(1R,4R)-1-Hexyl-4-(propanoylamino)decyl]propanamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	368.340278663 u
Formula	C22H44N2O2
InChI	InChI=1S/C22H44N2O2/c1-5-9-11-13-15-19(23-21(25)7-3)17-18-20(24-22(26)8-4)16-14-12-10-6-2/h19-20H,5-18H2,1-4H3,(H,23,25)(H,24,26)/t19-,20-/m1/s1
InChIKey	SDZCVNXBLXOKPE-WOJBJXKFSA-N
Molecular Weight	368.606 g/mol
SMILES	C(N[C@@](CC[C@](NC(=O)CC)(CCCCCC)[H])(CCCCCC)[H])(=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.925853