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8-(Tetrahydroxybutyl)-3-(ethoxycarbonyl)-2-(p-tolyl)furan

View entire compound with spectra: 1 NMR

8-(Tetrahydroxybutyl)-3-(ethoxycarbonyl)-2-(p-tolyl)furan
SpectraBase Compound ID FTCE9MZtr3K
InChI InChI=1S/C18H22O7/c1-3-24-18(23)12-8-14(16(22)15(21)13(20)9-19)25-17(12)11-6-4-10(2)5-7-11/h4-8,13,15-16,19-22H,3,9H2,1-2H3/t13-,15-,16-/m1/s1
InChIKey JWRQLCWQGSBOPA-FVQBIDKESA-N
Mol Weight 350.37 g/mol
Molecular Formula C18H22O7
Exact Mass 350.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LtkyuE67vNX
Name 8-(Tetrahydroxybutyl)-3-(ethoxycarbonyl)-2-(p-tolyl)furan
Comments Computed using HOSE algorithm
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Exact Mass 350.136553041 u
Formula C18H22O7
InChI InChI=1S/C18H22O7/c1-3-24-18(23)12-8-14(16(22)15(21)13(20)9-19)25-17(12)11-6-4-10(2)5-7-11/h4-8,13,15-16,19-22H,3,9H2,1-2H3/t13-,15-,16-/m1/s1
InChIKey JWRQLCWQGSBOPA-FVQBIDKESA-N
Molecular Weight 350.367 g/mol
SMILES C1(=C(OC(=C1)[C@]([C@@]([C@](O)(CO)[H])(O)[H])(O)[H])C1=CC=C(C=C1)C)C(=O)OCC