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Succinic acid, hexadecyl 4-methylthiophenyl ester

View entire compound with spectra: 1 NMR

Succinic acid, hexadecyl 4-methylthiophenyl ester
SpectraBase Compound ID H3HVXfdH1Qu
InChI InChI=1S/C27H44O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-30-26(28)21-22-27(29)31-24-17-19-25(32-2)20-18-24/h17-20H,3-16,21-23H2,1-2H3
InChIKey PRJIXIKNYXIIGX-UHFFFAOYSA-N
Mol Weight 464.7 g/mol
Molecular Formula C27H44O4S
Exact Mass 464.296031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID pc6J0cfHOR
Name Succinic acid, hexadecyl 4-methylthiophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 464.296031067 u
Formula C27H44O4S
InChI InChI=1S/C27H44O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-30-26(28)21-22-27(29)31-24-17-19-25(32-2)20-18-24/h17-20H,3-16,21-23H2,1-2H3
InChIKey PRJIXIKNYXIIGX-UHFFFAOYSA-N
Molecular Weight 464.705 g/mol
SMILES C(CCC(OC1=CC=C(SC)C=C1)=O)(OCCCCCCCCCCCCCCCC)=O