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[1,1'-Biphenyl]-2-carboxylic acid, 3',4,4',5,5',6-hexamethoxy-2'-(2-oxopropyl)-, ethyl ester
SpectraBase Compound ID E8VHpUum0kd
InChI InChI=1S/C24H30O9/c1-9-33-24(26)16-12-18(28-4)22(31-7)23(32-8)19(16)14-11-17(27-3)21(30-6)20(29-5)15(14)10-13(2)25/h11-12H,9-10H2,1-8H3
InChIKey XVFOZSSLJZOVAQ-UHFFFAOYSA-N
Mol Weight 462.5 g/mol
Molecular Formula C24H30O9
Exact Mass 462.188983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3MVI7SgYUM6
Name [1,1'-Biphenyl]-2-carboxylic acid, 3',4,4',5,5',6-hexamethoxy-2'-(2-oxopropyl)-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.188982537 u
Formula C24H30O9
InChI InChI=1S/C24H30O9/c1-9-33-24(26)16-12-18(28-4)22(31-7)23(32-8)19(16)14-11-17(27-3)21(30-6)20(29-5)15(14)10-13(2)25/h11-12H,9-10H2,1-8H3
InChIKey XVFOZSSLJZOVAQ-UHFFFAOYSA-N
Molecular Weight 462.495 g/mol
SMILES C=1(C=2C(=C(OC)C(=C(C2)OC)OC)CC(=O)C)C(=CC(=C(C1OC)OC)OC)C(=O)OCC