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Diethylmalonic acid, 2-methylthiophenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-methylthiophenyl pentadecyl ester
SpectraBase Compound ID IEtUN4KCYX4
InChI InChI=1S/C29H48O4S/c1-5-8-9-10-11-12-13-14-15-16-17-18-21-24-32-27(30)29(6-2,7-3)28(31)33-25-22-19-20-23-26(25)34-4/h19-20,22-23H,5-18,21,24H2,1-4H3
InChIKey MYAQQTCWJAFKST-UHFFFAOYSA-N
Mol Weight 492.8 g/mol
Molecular Formula C29H48O4S
Exact Mass 492.327331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 742YJ07xQLg
Name Diethylmalonic acid, 2-methylthiophenyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 492.327331196 u
Formula C29H48O4S
InChI InChI=1S/C29H48O4S/c1-5-8-9-10-11-12-13-14-15-16-17-18-21-24-32-27(30)29(6-2,7-3)28(31)33-25-22-19-20-23-26(25)34-4/h19-20,22-23H,5-18,21,24H2,1-4H3
InChIKey MYAQQTCWJAFKST-UHFFFAOYSA-N
Molecular Weight 492.759 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)SC)=O)CC