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Octadecanoic acid, 6-(dimethylamino)-, methyl ester

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

Octadecanoic acid, 6-(dimethylamino)-, methyl ester
SpectraBase Compound ID AkEBOnzSB4q
InChI InChI=1S/C21H43NO2/c1-5-6-7-8-9-10-11-12-13-14-17-20(22(2)3)18-15-16-19-21(23)24-4/h20H,5-19H2,1-4H3
InChIKey CNGMNWBLDZNKRT-UHFFFAOYSA-N
Mol Weight 341.6 g/mol
Molecular Formula C21H43NO2
Exact Mass 341.32938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1HxSoOmf58t
Name Octadecanoic acid, 6-(dimethylamino)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.329379627 u
Formula C21H43NO2
InChI InChI=1S/C21H43NO2/c1-5-6-7-8-9-10-11-12-13-14-17-20(22(2)3)18-15-16-19-21(23)24-4/h20H,5-19H2,1-4H3
InChIKey CNGMNWBLDZNKRT-UHFFFAOYSA-N
Molecular Weight 341.580 g/mol
SMILES C(C(CCCCCCCCCCCC)N(C)C)CCCC(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885266