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Dodecanoic acid

View entire compound with spectra: 17 NMR, 23 FTIR, 3 Raman, 52 MS (GC), and 2 Near IR

Dodecanoic acid
SpectraBase Compound ID 3ZYsGz9lbPm
InChI InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
InChIKey POULHZVOKOAJMA-UHFFFAOYSA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BHbP3MR4GmB
Name Dodecanoic acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 143-07-7
ChEBI ID 30805
Comments Saturated Dodecanoic acid - Sigma-Aldrich Solvent CDCl3, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C12H24O2
IUPAC Name dodecanoic acid; lauric acid
InChI InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
InChIKey POULHZVOKOAJMA-UHFFFAOYSA-N
KEGG Compound ID C02679
KEGG Pathways PATH: ko00061 Fatty acid biosynthesis
PubChem Compound ID 3893
SMILES CCCCCCCCCCCC(=O)O
Source File Reference bmse000509