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Docosanedioic acid

View entire compound with spectra: 2 NMR, 2 FTIR, and 2 MS (GC)

Docosanedioic acid
SpectraBase Compound ID 33jJeDOCUVm
InChI InChI=1S/C22H42O4/c23-21(24)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(25)26/h1-20H2,(H,23,24)(H,25,26)
InChIKey DGXRZJSPDXZJFG-UHFFFAOYSA-N
Mol Weight 370.6 g/mol
Molecular Formula C22H42O4
Exact Mass 370.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3PGaxGsImIx
Name Docosanedioic acid
Alternate Name(s) 1,20-Eicosanedicarboxylic acid 1,22-Docosanedioic acid Felogenic acid Phellogenic acid
CAS Registry Number 505-56-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H42O4
InChI InChI=1S/C22H42O4/c23-21(24)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(25)26/h1-20H2,(H,23,24)(H,25,26)
InChIKey DGXRZJSPDXZJFG-UHFFFAOYSA-N
Molecular Weight 370.574 g/mol
SMILES OC(CCCCCCCCCCCCCCCCCCCCC(=O)O)=O
SPLASH splash10-052f-9200000000-93da65b99f3e26293eed
Wiley ID 1501743