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Hexadecylitaconic acid
SpectraBase Compound ID 96dGMH8pAbB
InChI InChI=1S/C21H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21(24)25)18(2)20(22)23/h19H,2-17H2,1H3,(H,22,23)(H,24,25)
InChIKey GFBJXFMJWQHQJC-UHFFFAOYSA-N
Mol Weight 354.5 g/mol
Molecular Formula C21H38O4
Exact Mass 354.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JwXxgZ6cTOd
Name Hexadecylitaconic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O4
InChI InChI=1S/C21H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21(24)25)18(2)20(22)23/h19H,2-17H2,1H3,(H,22,23)(H,24,25)
InChIKey GFBJXFMJWQHQJC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.547
Molecular Weight 354.531 g/mol
SMILES OC(C(C(C(=O)O)CCCCCCCCCCCCCCCC)=C)=O
SPLASH splash10-056r-6900000000-8f8670c8429395af48af
Source of Spectrum RCM-16-66-Fig5(a)
Synonyms 2-Hexadecyl-3-methylenesuccinic acid
Wiley ID 1819710