9-Octadecenoic acid, 12-[(1-oxobutyl)amino]-, methyl ester, (Z)-

SpectraBase Compound ID	7lrilqJPmHc
InChI	InChI=1S/C23H43NO3/c1-4-6-7-14-18-21(24-22(25)17-5-2)19-15-12-10-8-9-11-13-16-20-23(26)27-3/h12,15,21H,4-11,13-14,16-20H2,1-3H3,(H,24,25)/b15-12-
InChIKey	JVWWPNVEJDCZPQ-QINSGFPZSA-N Google Search
Mol Weight	381.6 g/mol
Molecular Formula	C23H43NO3
Exact Mass	381.324294 g/mol

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SpectraBase Spectrum ID	LfgHMknaKsR
Name	9-Octadecenoic acid, 12-[(1-oxobutyl)amino]-, methyl ester, (Z)-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	381.324294246 u
Formula	C23H43NO3
InChI	InChI=1S/C23H43NO3/c1-4-6-7-14-18-21(24-22(25)17-5-2)19-15-12-10-8-9-11-13-16-20-23(26)27-3/h12,15,21H,4-11,13-14,16-20H2,1-3H3,(H,24,25)/b15-12-
InChIKey	JVWWPNVEJDCZPQ-QINSGFPZSA-N
Molecular Weight	381.601 g/mol
SMILES	C(NC(C\C=C/CCCCCCCC(=O)OC)CCCCCC)(=O)CCC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.93844