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Vertinolide
SpectraBase Compound ID 6OLzsTK7u1Q
InChI InChI=1S/C14H18O4/c1-4-5-6-7-11(15)8-9-14(3)12(16)10(2)13(17)18-14/h4-7,16H,8-9H2,1-3H3/b5-4+,7-6+
InChIKey GQFGVUPBODCMSV-YTXTXJHMSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwC0bDunSsY
Name 4-Hydroxy-3,5-dimethyl-5-((E)-3-oxoocta-4,6-dienyl)furan-2(5H)-one [(+-)-vertinolide]
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Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-4-5-6-7-11(15)8-9-14(3)12(16)10(2)13(17)18-14/h4-7,16H,8-9H2,1-3H3/b5-4+,7-6+
InChIKey GQFGVUPBODCMSV-YTXTXJHMSA-N
Molecular Weight 250.294 g/mol
SMILES OC1=C(C(OC1(CCC(\C=C\C=C\C)=O)C)=O)C
SPLASH splash10-0002-9000000000-cdd21a463328e3462dc8
Source of Spectrum K-2002-502-1
Synonyms 4-Hydroxy-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]-2-furanone 4-Hydroxy-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one 3,5-Dimethyl-4-oxidanyl-5-[(4E,6E)-3-oxidanylideneocta-4,6-dienyl]furan-2-one
Wiley ID 1580808