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2-Thiopheneacetic acid, tridecyl ester
SpectraBase Compound ID 11o768hFklc
InChI InChI=1S/C19H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-19(20)17-18-14-13-16-22-18/h13-14,16H,2-12,15,17H2,1H3
InChIKey FKTWLHVUOQLPHI-UHFFFAOYSA-N
Mol Weight 324.5 g/mol
Molecular Formula C19H32O2S
Exact Mass 324.212301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K2zG0gefu64
Name 2-Thiopheneacetic acid, tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 324.212301442 u
Formula C19H32O2S
InChI InChI=1S/C19H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-19(20)17-18-14-13-16-22-18/h13-14,16H,2-12,15,17H2,1H3
InChIKey FKTWLHVUOQLPHI-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCOC(=O)CC=1SC=CC1