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(2E,6E)-2-(4'-Methylpent-3'-enyl)-6-[3"-(2"'-oxo-2"',5"'-dihydrofuran-3"'-yl)propylidene]hept-2-enedioic Acid
SpectraBase Compound ID BaIna7Hn5O1
InChI InChI=1S/C20H26O6/c1-14(2)6-3-7-15(18(21)22)8-4-9-16(19(23)24)10-5-11-17-12-13-26-20(17)25/h6,8,10,12H,3-5,7,9,11,13H2,1-2H3,(H,21,22)(H,23,24)/b15-8+,16-10+
InChIKey PNULYALODGNHHJ-FAYHMPLTSA-N
Mol Weight 362.42 g/mol
Molecular Formula C20H26O6
Exact Mass 362.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALRjNk4MrrQ
Name (2E,6E)-2-(4'-Methylpent-3'-enyl)-6-[3"-(2"'-oxo-2"',5"'-dihydrofuran-3"'-yl)propylidene]hept-2-enedioic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O6
InChI InChI=1S/C20H26O6/c1-14(2)6-3-7-15(18(21)22)8-4-9-16(19(23)24)10-5-11-17-12-13-26-20(17)25/h6,8,10,12H,3-5,7,9,11,13H2,1-2H3,(H,21,22)(H,23,24)/b15-8+,16-10+
InChIKey PNULYALODGNHHJ-FAYHMPLTSA-N
Molecular Weight 362.422 g/mol
SMILES OC(\C(CC\C=C\(C(=O)O)CCC=C(C)C)=C/CCC=1C(OCC1)=O)=O
SPLASH splash10-014i-9211000000-d96c06b3031a03357b4a
Source of Spectrum G4-71-192-3
Synonyms (E,6E)-2-(4-methylpent-3-enyl)-6-[3-(5-oxo-2H-furan-4-yl)propylidene]-2-heptenedioic acid (E,6E)-2-(4-methylpent-3-enyl)-6-[3-(5-oxo-2H-furan-4-yl)propylidene]hept-2-enedioic acid (E,6E)-2-(4-methylpent-3-enyl)-6-[3-(5-oxidanylidene-2H-furan-4-yl)propylidene]hept-2-enedioic acid
Wiley ID 1695265