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Heneicosanoic acid

View entire compound with spectra: 4 NMR, 4 FTIR, 1 Raman, and 5 MS (GC)

Heneicosanoic acid
SpectraBase Compound ID 1eX4mdhaDd1
InChI InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)
InChIKey CKDDRHZIAZRDBW-UHFFFAOYSA-N
Mol Weight 326.6 g/mol
Molecular Formula C21H42O2
Exact Mass 326.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3L50BFnWwB
Name Heneicosanoic acid
CAS Registry Number 2363-71-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H42O2
InChI InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)
InChIKey CKDDRHZIAZRDBW-UHFFFAOYSA-N
Molecular Weight 326.565 g/mol
SMILES OC(CCCCCCCCCCCCCCCCCCCC)=O
SPLASH splash10-0596-9000000000-037de0fd217668ca2746
Source of Spectrum Va-0-0-0
Synonyms Hen - eicosanoic acid Henicosanoic acid n-Heneicosanoic acid EINECS 219-113-3
Wiley ID 740256