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L-Proline, N-(thiophen-2-carbonyl)-, hexadecyl ester
SpectraBase Compound ID BcJnG9zifTz
InChI InChI=1S/C26H43NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-30-26(29)23-18-16-20-27(23)25(28)24-19-17-22-31-24/h17,19,22-23H,2-16,18,20-21H2,1H3
InChIKey JFEQLZBFQJJHRP-UHFFFAOYSA-N
Mol Weight 449.7 g/mol
Molecular Formula C26H43NO3S
Exact Mass 449.296365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ElD9jA6Wv59
Name L-Proline, N-(thiophen-2-carbonyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 449.296365420 u
Formula C26H43NO3S
InChI InChI=1S/C26H43NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-30-26(29)23-18-16-20-27(23)25(28)24-19-17-22-31-24/h17,19,22-23H,2-16,18,20-21H2,1H3
InChIKey JFEQLZBFQJJHRP-UHFFFAOYSA-N
Molecular Weight 449.694 g/mol
SMILES CCCCCCCCCCCCCCCCOC(C1N(C(C=2SC=CC2)=O)CCC1)=O