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1,2-Cyclohexanedicarboxylic acid, hexadecyl 2-methylpent-3-yl ester

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

1,2-Cyclohexanedicarboxylic acid, hexadecyl 2-methylpent-3-yl ester
SpectraBase Compound ID EXzMuv2m5FC
InChI InChI=1S/C30H56O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-24-33-29(31)26-22-19-20-23-27(26)30(32)34-28(6-2)25(3)4/h25-28H,5-24H2,1-4H3
InChIKey JWMIOWVEESAQGL-UHFFFAOYSA-N
Mol Weight 480.8 g/mol
Molecular Formula C30H56O4
Exact Mass 480.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eg1NUKpxOao
Name 1,2-Cyclohexanedicarboxylic acid, hexadecyl 2-methylpent-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.417860279 u
Formula C30H56O4
InChI InChI=1S/C30H56O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-24-33-29(31)26-22-19-20-23-27(26)30(32)34-28(6-2)25(3)4/h25-28H,5-24H2,1-4H3
InChIKey JWMIOWVEESAQGL-UHFFFAOYSA-N
Molecular Weight 480.774 g/mol
SMILES C(C1CCCCC1C(OCCCCCCCCCCCCCCCC)=O)(=O)OC(C(C)C)CC