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1,2-Cyclohexanedicarboxylic acid, allyl pentadecyl ester

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

1,2-Cyclohexanedicarboxylic acid, allyl pentadecyl ester
SpectraBase Compound ID H2qsGjl93P
InChI InChI=1S/C26H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-22-30-26(28)24-20-17-16-19-23(24)25(27)29-21-4-2/h4,23-24H,2-3,5-22H2,1H3
InChIKey KPFHTFCFTOPOEV-UHFFFAOYSA-N
Mol Weight 422.7 g/mol
Molecular Formula C26H46O4
Exact Mass 422.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7N2WfDatx5a
Name 1,2-Cyclohexanedicarboxylic acid, allyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 422.339609957 u
Formula C26H46O4
InChI InChI=1S/C26H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-22-30-26(28)24-20-17-16-19-23(24)25(27)29-21-4-2/h4,23-24H,2-3,5-22H2,1H3
InChIKey KPFHTFCFTOPOEV-UHFFFAOYSA-N
Molecular Weight 422.650 g/mol
SMILES C1(CCCCC1C(OCCCCCCCCCCCCCCC)=O)C(=O)OCC=C