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Diethyl 2-(5-acetyl-6-hydroxy-2-isopropenyl-1-benzofuran-7-yl)-2-butenedioate
SpectraBase Compound ID 5b2qY9F2dDb
InChI InChI=1S/C21H22O7/c1-6-26-17(23)10-15(21(25)27-7-2)18-19(24)14(12(5)22)8-13-9-16(11(3)4)28-20(13)18/h8-10,24H,3,6-7H2,1-2,4-5H3
InChIKey HLUALVYSMMYQKV-UHFFFAOYSA-N
Mol Weight 386.4 g/mol
Molecular Formula C21H22O7
Exact Mass 386.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19cJjwT2BOP
Name Diethyl 2-(5-acetyl-6-hydroxy-2-isopropenyl-1-benzofuran-7-yl)-2-butenedioate
Appearance Yellow powder
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Formula C21H22O7
InChI InChI=1S/C21H22O7/c1-6-26-17(23)10-15(21(25)27-7-2)18-19(24)14(12(5)22)8-13-9-16(11(3)4)28-20(13)18/h8-10,24H,3,6-7H2,1-2,4-5H3
InChIKey HLUALVYSMMYQKV-UHFFFAOYSA-N
Instrument Name FINNIGAN-MAT 8430
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2662
Molecular Weight 386.400 g/mol
SMILES Oc1c(C(C(OCC)=O)=CC(=O)OCC)c2c(cc1C(C)=O)cc(o2)C(=C)C
SPLASH splash10-054o-9625000000-0a681293e1bc17cfd69b
Source of Spectrum Y-54-984-10b
Wiley ID 1878017