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2,4,6-Tris( 2',4',5'-trimethoxybenzoyloxy)acetophenone
SpectraBase Compound ID LQvdVGHAzf
InChI InChI=1S/C38H38O16/c1-19(39)35-33(53-37(41)22-14-28(47-6)31(50-9)17-25(22)44-3)11-20(52-36(40)21-13-27(46-5)30(49-8)16-24(21)43-2)12-34(35)54-38(42)23-15-29(48-7)32(51-10)18-26(23)45-4/h11-18H,1-10H3
InChIKey BCRUYGRAGLGNBG-UHFFFAOYSA-N
Mol Weight 750.7 g/mol
Molecular Formula C38H38O16
Exact Mass 750.215985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5RPkAxyzoVo
Name 2,4,6-Tris( 2',4',5'-trimethoxybenzoyloxy)acetophenone
Comments Computed using HOSE algorithm
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Exact Mass 750.215985128 u
Formula C38H38O16
InChI InChI=1S/C38H38O16/c1-19(39)35-33(53-37(41)22-14-28(47-6)31(50-9)17-25(22)44-3)11-20(52-36(40)21-13-27(46-5)30(49-8)16-24(21)43-2)12-34(35)54-38(42)23-15-29(48-7)32(51-10)18-26(23)45-4/h11-18H,1-10H3
InChIKey BCRUYGRAGLGNBG-UHFFFAOYSA-N
Molecular Weight 750.706 g/mol
SMILES C=1(C(OC2=C(C(OC(C3=C(C=C(C(=C3)OC)OC)OC)=O)=CC(=C2)OC(C2=C(C=C(C(=C2)OC)OC)OC)=O)C(=O)C)=O)C(=CC(=C(C1)OC)OC)OC