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

View entire compound with spectra: 1 NMR

L-Proline, N-(thiophen-2-carbonyl)-, pentadecyl ester
SpectraBase Compound ID w2bVX44RBt
InChI InChI=1S/C25H41NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-29-25(28)22-17-15-19-26(22)24(27)23-18-16-21-30-23/h16,18,21-22H,2-15,17,19-20H2,1H3
InChIKey RJGQISSSASXOSC-UHFFFAOYSA-N
Mol Weight 435.7 g/mol
Molecular Formula C25H41NO3S
Exact Mass 435.280715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ez2mT1Hvwh
Name L-Proline, N-(thiophen-2-carbonyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 435.280715355 u
Formula C25H41NO3S
InChI InChI=1S/C25H41NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-29-25(28)22-17-15-19-26(22)24(27)23-18-16-21-30-23/h16,18,21-22H,2-15,17,19-20H2,1H3
InChIKey RJGQISSSASXOSC-UHFFFAOYSA-N
Molecular Weight 435.667 g/mol
SMILES CCCCCCCCCCCCCCCOC(C1N(C(C=2SC=CC2)=O)CCC1)=O