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1,4-Benzenediheptanoic acid, 2,3,5,6-tetramethyl-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1,4-Benzenediheptanoic acid, 2,3,5,6-tetramethyl-
SpectraBase Compound ID IT0yZwrzrQE
InChI InChI=1S/C24H38O4/c1-17-18(2)22(14-10-6-8-12-16-24(27)28)20(4)19(3)21(17)13-9-5-7-11-15-23(25)26/h5-16H2,1-4H3,(H,25,26)(H,27,28)
InChIKey YGLLFONRCMBLAP-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FvpNpO1wpBT
Name 1,4-Benzenediheptanoic acid, 2,3,5,6-tetramethyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-17-18(2)22(14-10-6-8-12-16-24(27)28)20(4)19(3)21(17)13-9-5-7-11-15-23(25)26/h5-16H2,1-4H3,(H,25,26)(H,27,28)
InChIKey YGLLFONRCMBLAP-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C1(=C(C(CCCCCCC(=O)O)=C(C(=C1CCCCCCC(=O)O)C)C)C)C