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STROBILININ-ACETATE
SpectraBase Compound ID 9oYVxxBTsOD
InChI InChI=1S/C27H36O5/c1-19(9-6-10-20(2)12-8-14-24-15-16-30-18-24)11-7-13-21(3)17-25-26(31-23(5)28)22(4)27(29)32-25/h10-11,15-18,21H,6-9,12-14H2,1-5H3/b19-11+,20-10+,25-17-
InChIKey CEERGVZXRWIDAD-WVKBXBLLSA-N
Mol Weight 440.6 g/mol
Molecular Formula C27H36O5
Exact Mass 440.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KM07UyygaUi
Name strobilinin acetate (inseparable mixture)
Alternate Name(s) (2Z)-2-[(5E,9E)-13-(3-furyl)-2,6,10-trimethyl-5,9-tridecadienylidene]-4-methyl-5-oxo-2,5-dihydro-3-furanyl acetate
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Formula C27H36O5
InChI InChI=1S/C27H36O5/c1-19(9-6-10-20(2)12-8-14-24-15-16-30-18-24)11-7-13-21(3)17-25-26(31-23(5)28)22(4)27(29)32-25/h10-11,15-18,21H,6-9,12-14H2,1-5H3/b19-11+,20-10+,25-17-
InChIKey CEERGVZXRWIDAD-WVKBXBLLSA-N
Molecular Weight 440.580 g/mol
SMILES C1(=C(\C(=C\C(CC\C=C\(CC\C=C\(CCCc2cocc2)C)C)C)OC1=O)OC(=O)C)C
SPLASH splash10-0ue9-9200000000-99f3f760bd6929548db2
Source of Spectrum B-47-933-0
Wiley ID 1384807