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Tetradecanoic acid, 3-(acetylamino)-12-methyl-, methyl ester

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

Tetradecanoic acid, 3-(acetylamino)-12-methyl-, methyl ester
SpectraBase Compound ID JJD7CeiQqOv
InChI InChI=1S/C18H35NO3/c1-5-15(2)12-10-8-6-7-9-11-13-17(19-16(3)20)14-18(21)22-4/h15,17H,5-14H2,1-4H3,(H,19,20)
InChIKey IFRZPHIIJHVNIK-UHFFFAOYSA-N
Mol Weight 313.5 g/mol
Molecular Formula C18H35NO3
Exact Mass 313.261694 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5BferNVNfRy
Name Tetradecanoic acid, 3-(acetylamino)-12-methyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.261693988 u
Formula C18H35NO3
InChI InChI=1S/C18H35NO3/c1-5-15(2)12-10-8-6-7-9-11-13-17(19-16(3)20)14-18(21)22-4/h15,17H,5-14H2,1-4H3,(H,19,20)
InChIKey IFRZPHIIJHVNIK-UHFFFAOYSA-N
SMILES CCC(CCCCCCCCC(CC(OC)=O)NC(C)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939758