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2,2',5'-Trihydroxychalcone, tris(2-methylpropionate)

View entire compound with spectra: 1 NMR, and 1 FTIR

2,2',5'-Trihydroxychalcone, tris(2-methylpropionate)
SpectraBase Compound ID KcEUlt105VY
InChI InChI=1S/C27H30O7/c1-16(2)25(29)32-20-12-14-24(34-27(31)18(5)6)21(15-20)22(28)13-11-19-9-7-8-10-23(19)33-26(30)17(3)4/h7-18H,1-6H3/b13-11+
InChIKey LVSYBTFFGLXYCS-ACCUITESSA-N
Mol Weight 466.53 g/mol
Molecular Formula C27H30O7
Exact Mass 466.199153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Mc8oFPiayk
Name 2,2',5'-Trihydroxychalcone, tris(2-methylpropionate)
Comments Computed using HOSE algorithm
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Exact Mass 466.199153299 u
Formula C27H30O7
InChI InChI=1S/C27H30O7/c1-16(2)25(29)32-20-12-14-24(34-27(31)18(5)6)21(15-20)22(28)13-11-19-9-7-8-10-23(19)33-26(30)17(3)4/h7-18H,1-6H3/b13-11+
InChIKey LVSYBTFFGLXYCS-ACCUITESSA-N
Molecular Weight 466.530 g/mol
SMILES C1(=CC(=CC=C1OC(C(C)C)=O)OC(C(C)C)=O)C(\C=C\C1=CC=CC=C1OC(C(C)C)=O)=O