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4,2',5'-Trihydroxychalcone, tris(2-methylpropionate)

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

4,2',5'-Trihydroxychalcone, tris(2-methylpropionate)
SpectraBase Compound ID KWKJ3ijjnM9
InChI InChI=1S/C27H30O7/c1-16(2)25(29)32-20-10-7-19(8-11-20)9-13-23(28)22-15-21(33-26(30)17(3)4)12-14-24(22)34-27(31)18(5)6/h7-18H,1-6H3/b13-9+
InChIKey NFEXPWJJPCIQQN-UKTHLTGXSA-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 HoDJgHkDWne
Name 4,2',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)32-20-10-7-19(8-11-20)9-13-23(28)22-15-21(33-26(30)17(3)4)12-14-24(22)34-27(31)18(5)6/h7-18H,1-6H3/b13-9+
InChIKey NFEXPWJJPCIQQN-UKTHLTGXSA-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=C(C=C1)OC(C(C)C)=O)=O