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1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl heptyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl heptyl ester
SpectraBase Compound ID 8pCKFLOo8rW
InChI InChI=1S/C23H40O4/c1-2-3-4-5-11-17-26-22(24)20-14-9-10-15-21(20)23(25)27-18-16-19-12-7-6-8-13-19/h19-21H,2-18H2,1H3
InChIKey WVUPCHNXKOTUKJ-UHFFFAOYSA-N
Mol Weight 380.6 g/mol
Molecular Formula C23H40O4
Exact Mass 380.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EbFd3LXdV9W
Name 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.292659764 u
Formula C23H40O4
InChI InChI=1S/C23H40O4/c1-2-3-4-5-11-17-26-22(24)20-14-9-10-15-21(20)23(25)27-18-16-19-12-7-6-8-13-19/h19-21H,2-18H2,1H3
InChIKey WVUPCHNXKOTUKJ-UHFFFAOYSA-N
Molecular Weight 380.569 g/mol
SMILES C(OC(C1CCCCC1C(OCCCCCCC)=O)=O)CC1CCCCC1