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(3Z)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one diacetate
SpectraBase Compound ID Ajrs4tuAOU8
InChI InChI=1S/C16H20O6/c1-4-5-6-12-11-7-8-13(20-9(2)17)15(21-10(3)18)14(11)16(19)22-12/h6,13,15H,4-5,7-8H2,1-3H3/b12-6-
InChIKey QUWPOGDNFLQQLV-SDQBBNPISA-N
Mol Weight 308.33 g/mol
Molecular Formula C16H20O6
Exact Mass 308.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID bnDj2xPNcz
Name (3Z)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one diacetate
Comments Computed using HOSE algorithm
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Exact Mass 308.125988358 u
Formula C16H20O6
InChI InChI=1S/C16H20O6/c1-4-5-6-12-11-7-8-13(20-9(2)17)15(21-10(3)18)14(11)16(19)22-12/h6,13,15H,4-5,7-8H2,1-3H3/b12-6-
InChIKey QUWPOGDNFLQQLV-SDQBBNPISA-N
Molecular Weight 308.330 g/mol
SMILES C1CC(C(C2=C1\C(=C\CCC)OC2=O)OC(=O)C)OC(=O)C