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Methyl tridecanoate

View entire compound with spectra: 5 NMR, 6 FTIR, 1 Raman, and 22 MS (GC)

Methyl tridecanoate
SpectraBase Compound ID LIufIT2RPat
InChI InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h3-13H2,1-2H3
InChIKey JNDDPBOKWCBQSM-UHFFFAOYSA-N
Mol Weight 228.38 g/mol
Molecular Formula C14H28O2
Exact Mass 228.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LekQp6p7cz8
Name Tridecanoic acid, methyl ester
Alternate Name(s) Methyl ester of tridecanoic acid Methyl n-tridecanoate Methyl tridecanoate Methyl tridecanoate ester n-Tridecanoic acid methyl ester BRN 1769695 EINECS 217-054-8 NSC 163375
CAS Registry Number 1731-88-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H28O2
InChI InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h3-13H2,1-2H3
InChIKey JNDDPBOKWCBQSM-UHFFFAOYSA-N
Molecular Weight 228.376 g/mol
SMILES C(CCCCCCCCCCC(=O)OC)C
SPLASH splash10-0596-9000000000-1692e0d3c43f1858f690
Source of Spectrum Va-0-0-0
Wiley ID 741433