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1,2-Cyclohexanedicarboxylic acid, hexadecyl 2-methoxyethyl ester

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1,2-Cyclohexanedicarboxylic acid, hexadecyl 2-methoxyethyl ester
SpectraBase Compound ID DufiSZmcQCT
InChI InChI=1S/C27H50O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-31-26(28)24-19-16-17-20-25(24)27(29)32-23-22-30-2/h24-25H,3-23H2,1-2H3
InChIKey AXXDQCMZVHYTMR-UHFFFAOYSA-N
Mol Weight 454.7 g/mol
Molecular Formula C27H50O5
Exact Mass 454.365825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IyHmcUicgxr
Name 1,2-Cyclohexanedicarboxylic acid, hexadecyl 2-methoxyethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 454.365824705 u
Formula C27H50O5
InChI InChI=1S/C27H50O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-31-26(28)24-19-16-17-20-25(24)27(29)32-23-22-30-2/h24-25H,3-23H2,1-2H3
InChIKey AXXDQCMZVHYTMR-UHFFFAOYSA-N
Molecular Weight 454.692 g/mol
SMILES CCCCCCCCCCCCCCCCOC(C1CCCCC1C(=O)OCCOC)=O