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Diethylmalonic acid, 2-methylthiophenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-methylthiophenyl tetradecyl ester
SpectraBase Compound ID H7zHh7LbdaO
InChI InChI=1S/C28H46O4S/c1-5-8-9-10-11-12-13-14-15-16-17-20-23-31-26(29)28(6-2,7-3)27(30)32-24-21-18-19-22-25(24)33-4/h18-19,21-22H,5-17,20,23H2,1-4H3
InChIKey URIPXTJCBXXHIH-UHFFFAOYSA-N
Mol Weight 478.7 g/mol
Molecular Formula C28H46O4S
Exact Mass 478.311681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CzO75q1TzNI
Name Diethylmalonic acid, 2-methylthiophenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 478.311681131 u
Formula C28H46O4S
InChI InChI=1S/C28H46O4S/c1-5-8-9-10-11-12-13-14-15-16-17-20-23-31-26(29)28(6-2,7-3)27(30)32-24-21-18-19-22-25(24)33-4/h18-19,21-22H,5-17,20,23H2,1-4H3
InChIKey URIPXTJCBXXHIH-UHFFFAOYSA-N
Molecular Weight 478.732 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)SC)=O)CC