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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 GWZdmnzquVE
Name Tridecanoic acid,methyl ester
CAS Registry Number 1731-88-0
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 228.208930140 u
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
Ionization Type Electron Ionization (EI)
Molecular Weight 228.376 g/mol
Nominal Mass 228 u
Quality 994
Retention Index 1591
SMILES C(CCCCCCCCCCCC)(OC)=O
SPLASH splash10-00du-9100000000-588f6e77f335b094b128
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms methyl tridecanoate
Technique GC/MS
Wiley ID DD2024_034748