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CYCLOFUROSPONGIN-2
SpectraBase Compound ID CTpIIiRyL4
InChI InChI=1S/C21H26O3/c1-16(5-3-6-17-8-11-23-15-17)13-19(22)14-21(2)10-4-7-18-9-12-24-20(18)21/h5,8-9,11-12,15H,3-4,6-7,10,13-14H2,1-2H3/b16-5+
InChIKey NQLMQSZWWCKWNA-FZSIALSZSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42T028zJnGI
Name (E)-7-(3-furanyl)-4-methyl-1-(7-methyl-5,6-dihydro-4H-benzofuran-7-yl)-4-hepten-2-one
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Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-16(5-3-6-17-8-11-23-15-17)13-19(22)14-21(2)10-4-7-18-9-12-24-20(18)21/h5,8-9,11-12,15H,3-4,6-7,10,13-14H2,1-2H3/b16-5+
InChIKey NQLMQSZWWCKWNA-FZSIALSZSA-N
Molecular Weight 326.436 g/mol
SMILES c12C(CC(=O)C\C(=C\CCc3cocc3)C)(CCCc1cco2)C
SPLASH splash10-000i-0900000000-5d7f5be15761a53bf343
Source of Spectrum G4-60-796-2
Synonyms (E)-7-(3-furyl)-4-methyl-1-(7-methyl-5,6-dihydro-4H-benzofuran-7-yl)hept-4-en-2-one (E)-7-(furan-3-yl)-4-methyl-1-(7-methyl-5,6-dihydro-4H-1-benzofuran-7-yl)hept-4-en-2-one
Wiley ID 1606793