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3-(15-ketohexadecyl)-4-methyl-furan-2,5-quinone
SpectraBase Compound ID AEHiGGS1qAG
InChI InChI=1S/C21H34O4/c1-17(22)15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-18(2)20(23)25-21(19)24/h3-16H2,1-2H3
InChIKey YXCSMIXCRWMTEC-UHFFFAOYSA-N
Mol Weight 350.5 g/mol
Molecular Formula C21H34O4
Exact Mass 350.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GnH1uBH6lg5
Name 3-(15-ketohexadecyl)-4-methyl-furan-2,5-quinone
CAS Registry Number 71595-42-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O4
InChI InChI=1S/C21H34O4/c1-17(22)15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-18(2)20(23)25-21(19)24/h3-16H2,1-2H3
InChIKey YXCSMIXCRWMTEC-UHFFFAOYSA-N
Molecular Weight 350.499 g/mol
SMILES CC1=C(CCCCCCCCCCCCCCC(C)=O)C(=O)OC1=O
SPLASH splash10-0a4l-9111000000-49403976961f156013ee
Source of Spectrum KO-7-149-2
Synonyms 3-Methyl-4-(15-oxidanylidenehexadecyl)furan-2,5-dione 3-Methyl-4-(15-oxohexadecyl)furan-2,5-dione FURANDIONE DERIV , (5346)
Wiley ID 1342139