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1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl pentyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl pentyl ester
SpectraBase Compound ID 5G3ECCMUPTf
InChI InChI=1S/C21H30O4/c1-4-5-8-13-24-20(22)17-9-6-7-10-18(17)21(23)25-19-14-15(2)11-12-16(19)3/h11-12,14,17-18H,4-10,13H2,1-3H3
InChIKey BNHPITWQNWDUDG-UHFFFAOYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I0mHG7QVOjs
Name 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 346.214409442 u
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-4-5-8-13-24-20(22)17-9-6-7-10-18(17)21(23)25-19-14-15(2)11-12-16(19)3/h11-12,14,17-18H,4-10,13H2,1-3H3
InChIKey BNHPITWQNWDUDG-UHFFFAOYSA-N
Molecular Weight 346.467 g/mol
SMILES C1(=CC(=CC=C1C)C)OC(C1CCCCC1C(OCCCCC)=O)=O