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Succinic acid, dodecyl trans-4-tert-butylcyclohexyl ester

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

Succinic acid, dodecyl trans-4-tert-butylcyclohexyl ester
SpectraBase Compound ID K8KUOaA7WWr
InChI InChI=1S/C26H48O4/c1-5-6-7-8-9-10-11-12-13-14-21-29-24(27)19-20-25(28)30-23-17-15-22(16-18-23)26(2,3)4/h22-23H,5-21H2,1-4H3
InChIKey IAEIGOFZEUNWOZ-UHFFFAOYSA-N
Mol Weight 424.7 g/mol
Molecular Formula C26H48O4
Exact Mass 424.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3RTVQRFfCsW
Name Succinic acid, dodecyl trans-4-tert-butylcyclohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.355260022 u
Formula C26H48O4
InChI InChI=1S/C26H48O4/c1-5-6-7-8-9-10-11-12-13-14-21-29-24(27)19-20-25(28)30-23-17-15-22(16-18-23)26(2,3)4/h22-23H,5-21H2,1-4H3
InChIKey IAEIGOFZEUNWOZ-UHFFFAOYSA-N
Molecular Weight 424.666 g/mol
SMILES C(OC(CCC(OC1CCC(CC1)C(C)(C)C)=O)=O)CCCCCCCCCCC