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Succinic acid, 4-methylthiophenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 4-methylthiophenyl pentadecyl ester
SpectraBase Compound ID 9JRKZOvhxc7
InChI InChI=1S/C26H42O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-29-25(27)20-21-26(28)30-23-16-18-24(31-2)19-17-23/h16-19H,3-15,20-22H2,1-2H3
InChIKey ZTXAYFAONZHYFP-UHFFFAOYSA-N
Mol Weight 450.7 g/mol
Molecular Formula C26H42O4S
Exact Mass 450.280381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GecbSLIBkg9
Name Succinic acid, 4-methylthiophenyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.280381002 u
Formula C26H42O4S
InChI InChI=1S/C26H42O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-29-25(27)20-21-26(28)30-23-16-18-24(31-2)19-17-23/h16-19H,3-15,20-22H2,1-2H3
InChIKey ZTXAYFAONZHYFP-UHFFFAOYSA-N
Molecular Weight 450.678 g/mol
SMILES C(CCC(OC1=CC=C(SC)C=C1)=O)(OCCCCCCCCCCCCCCC)=O