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2,5-Cyclohexadiene-1,4-dione, 2,2'-(1,14-tetradecanediyl)bis[3-hydroxy-6-methoxy-
SpectraBase Compound ID 2LTy9I0SoGg
InChI InChI=1S/C28H38O8/c1-35-23-17-21(29)25(31)19(27(23)33)15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-26(32)22(30)18-24(36-2)28(20)34/h17-18,31-32H,3-16H2,1-2H3
InChIKey NNUHZIQELGUWDX-UHFFFAOYSA-N
Mol Weight 502.6 g/mol
Molecular Formula C28H38O8
Exact Mass 502.256668 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EyAFKD4DTAn
Name 2,5-Cyclohexadiene-1,4-dione, 2,2'-(1,14-tetradecanediyl)bis[3-hydroxy-6-methoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.256668176 u
Formula C28H38O8
InChI InChI=1S/C28H38O8/c1-35-23-17-21(29)25(31)19(27(23)33)15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-26(32)22(30)18-24(36-2)28(20)34/h17-18,31-32H,3-16H2,1-2H3
InChIKey NNUHZIQELGUWDX-UHFFFAOYSA-N
Molecular Weight 502.604 g/mol
SMILES C1(=C(C(=O)C=C(C1=O)OC)O)CCCCCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O