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L-Proline, N-(thiophen-2-carbonyl)-, undecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(thiophen-2-carbonyl)-, undecyl ester
SpectraBase Compound ID 8tdDwIjwyXP
InChI InChI=1S/C21H33NO3S/c1-2-3-4-5-6-7-8-9-10-16-25-21(24)18-13-11-15-22(18)20(23)19-14-12-17-26-19/h12,14,17-18H,2-11,13,15-16H2,1H3
InChIKey UNCNFWIUTVUFTO-UHFFFAOYSA-N
Mol Weight 379.6 g/mol
Molecular Formula C21H33NO3S
Exact Mass 379.218115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7bg7PPvgwwl
Name L-Proline, N-(thiophen-2-carbonyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 379.218115098 u
Formula C21H33NO3S
InChI InChI=1S/C21H33NO3S/c1-2-3-4-5-6-7-8-9-10-16-25-21(24)18-13-11-15-22(18)20(23)19-14-12-17-26-19/h12,14,17-18H,2-11,13,15-16H2,1H3
InChIKey UNCNFWIUTVUFTO-UHFFFAOYSA-N
Molecular Weight 379.559 g/mol
SMILES CCCCCCCCCCCOC(C1N(C(C=2SC=CC2)=O)CCC1)=O