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2,2',4,4'-Tetrahydroxybenzophenone, tetrakis(2-methylpropionate)
SpectraBase Compound ID 9KzpsiXSDru
InChI InChI=1S/C29H34O9/c1-15(2)26(31)35-19-9-11-21(23(13-19)37-28(33)17(5)6)25(30)22-12-10-20(36-27(32)16(3)4)14-24(22)38-29(34)18(7)8/h9-18H,1-8H3
InChIKey VWIHGLDZNTXKJS-UHFFFAOYSA-N
Mol Weight 526.6 g/mol
Molecular Formula C29H34O9
Exact Mass 526.220283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HsKXCghCCSN
Name 2,2',4,4'-Tetrahydroxybenzophenone, tetrakis(2-methylpropionate)
Comments Computed using HOSE algorithm
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Exact Mass 526.220282666 u
Formula C29H34O9
InChI InChI=1S/C29H34O9/c1-15(2)26(31)35-19-9-11-21(23(13-19)37-28(33)17(5)6)25(30)22-12-10-20(36-27(32)16(3)4)14-24(22)38-29(34)18(7)8/h9-18H,1-8H3
InChIKey VWIHGLDZNTXKJS-UHFFFAOYSA-N
Molecular Weight 526.582 g/mol
SMILES C1(OC(C(C)C)=O)=C(C=CC(=C1)OC(C(C)C)=O)C(=O)C1=C(C=C(C=C1)OC(C(C)C)=O)OC(C(C)C)=O