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Adipic acid, di(3-(2-methoxyethyl)heptyl) ester

View entire compound with spectra: 1 NMR

Adipic acid, di(3-(2-methoxyethyl)heptyl) ester
SpectraBase Compound ID 21UWkwQmqaa
InChI InChI=1S/C26H50O6/c1-5-7-11-23(15-19-29-3)17-21-31-25(27)13-9-10-14-26(28)32-22-18-24(12-8-6-2)16-20-30-4/h23-24H,5-22H2,1-4H3
InChIKey BQLCNIAOYYUQDI-UHFFFAOYSA-N
Mol Weight 458.7 g/mol
Molecular Formula C26H50O6
Exact Mass 458.360739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9vfBZfeOIIh
Name Adipic acid, di(3-(2-methoxyethyl)heptyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 458.360739324 u
Formula C26H50O6
InChI InChI=1S/C26H50O6/c1-5-7-11-23(15-19-29-3)17-21-31-25(27)13-9-10-14-26(28)32-22-18-24(12-8-6-2)16-20-30-4/h23-24H,5-22H2,1-4H3
InChIKey BQLCNIAOYYUQDI-UHFFFAOYSA-N
Molecular Weight 458.680 g/mol
SMILES C(C(=O)OCCC(CCCC)CCOC)CCCC(OCCC(CCOC)CCCC)=O