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3-(2,4-Dihydroxypentyl)-6,8-dimethoxyisochromen-1-one, diacetate

View entire compound with spectra: 1 NMR

3-(2,4-Dihydroxypentyl)-6,8-dimethoxyisochromen-1-one, diacetate
SpectraBase Compound ID 4vTRA0LFNCe
InChI InChI=1S/C20H24O8/c1-11(26-12(2)21)6-16(27-13(3)22)9-17-8-14-7-15(24-4)10-18(25-5)19(14)20(23)28-17/h7-8,10-11,16H,6,9H2,1-5H3
InChIKey QQVQYGZWACEBSS-UHFFFAOYSA-N
Mol Weight 392.4 g/mol
Molecular Formula C20H24O8
Exact Mass 392.147118 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EYPXHaaB4Sy
Name 3-(2,4-Dihydroxypentyl)-6,8-dimethoxyisochromen-1-one, diacetate
Comments Computed using HOSE algorithm
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Exact Mass 392.147117725 u
Formula C20H24O8
InChI InChI=1S/C20H24O8/c1-11(26-12(2)21)6-16(27-13(3)22)9-17-8-14-7-15(24-4)10-18(25-5)19(14)20(23)28-17/h7-8,10-11,16H,6,9H2,1-5H3
InChIKey QQVQYGZWACEBSS-UHFFFAOYSA-N
Molecular Weight 392.404 g/mol
SMILES C1(=CC(=C2C(=C1)C=C(OC2=O)CC(CC(C)OC(=O)C)OC(=O)C)OC)OC