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Succinic acid, heptadecyl 4-tert-butylphenyl ester

View entire compound with spectra: 1 NMR

Succinic acid, heptadecyl 4-tert-butylphenyl ester
SpectraBase Compound ID EipibEbxWeF
InChI InChI=1S/C31H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-34-29(32)24-25-30(33)35-28-22-20-27(21-23-28)31(2,3)4/h20-23H,5-19,24-26H2,1-4H3
InChIKey DOOXKRGYBWMJMT-UHFFFAOYSA-N
Mol Weight 488.8 g/mol
Molecular Formula C31H52O4
Exact Mass 488.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EAVqYnNOcPt
Name Succinic acid, heptadecyl 4-tert-butylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 488.386560150 u
Formula C31H52O4
InChI InChI=1S/C31H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-34-29(32)24-25-30(33)35-28-22-20-27(21-23-28)31(2,3)4/h20-23H,5-19,24-26H2,1-4H3
InChIKey DOOXKRGYBWMJMT-UHFFFAOYSA-N
Molecular Weight 488.753 g/mol
SMILES C(CCCOC(CCC(OC1=CC=C(C=C1)C(C)(C)C)=O)=O)CCCCCCCCCCCCC