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Pentadecanoic acid

View entire compound with spectra: 6 NMR, 10 FTIR, 1 Raman, and 19 MS (GC)

Pentadecanoic acid
SpectraBase Compound ID EFMxhgRIyV2
InChI InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
InChIKey WQEPLUUGTLDZJY-UHFFFAOYSA-N
Mol Weight 242.4 g/mol
Molecular Formula C15H30O2
Exact Mass 242.22458 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6kFvvCauhcS
Name Pentadecanoic acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 1002-84-2
ChEBI ID 42504
Comments Saturated pentadecanoic 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 C15 H30 O2
IUPAC Name pentadecanoic acid
InChI InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
InChIKey WQEPLUUGTLDZJY-UHFFFAOYSA-N
KEGG Compound ID C16537
PubChem Compound ID 13849
SMILES CCCCCCCCCCCCCCC(=O)O
Source File Reference bmse000558