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Chromone, 2-[2-(3,5-diacetoxyphenyl)ethyl]-3-methyl-
SpectraBase Compound ID LvnTAOeNTrA
InChI InChI=1S/C22H18O6/c1-13-20(28-21-7-5-4-6-19(21)22(13)25)9-8-16-10-17(26-14(2)23)12-18(11-16)27-15(3)24/h4-12H,1-3H3/b9-8+
InChIKey VVIGOZJRGAWJPC-CMDGGOBGSA-N
Mol Weight 378.38 g/mol
Molecular Formula C22H18O6
Exact Mass 378.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EfL0nXN9zFd
Name Chromone, 2-[2-(3,5-diacetoxyphenyl)ethyl]-3-methyl-
Comments Computed using HOSE algorithm
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Exact Mass 378.110338294 u
Formula C22H18O6
InChI InChI=1S/C22H18O6/c1-13-20(28-21-7-5-4-6-19(21)22(13)25)9-8-16-10-17(26-14(2)23)12-18(11-16)27-15(3)24/h4-12H,1-3H3/b9-8+
InChIKey VVIGOZJRGAWJPC-CMDGGOBGSA-N
Molecular Weight 378.380 g/mol
SMILES C12=C(OC(=C(C2=O)C)\C=C\C2=CC(=CC(=C2)OC(=O)C)OC(=O)C)C=CC=C1