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L-Alanine, N-(2-thienylcarbonyl)-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-(2-thienylcarbonyl)-, heptadecyl ester
SpectraBase Compound ID KRPt2b2gGyt
InChI InChI=1S/C25H43NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-25(28)22(2)26-24(27)23-19-18-21-30-23/h18-19,21-22H,3-17,20H2,1-2H3,(H,26,27)
InChIKey WPRHJVBHOVJXBR-UHFFFAOYSA-N
Mol Weight 437.7 g/mol
Molecular Formula C25H43NO3S
Exact Mass 437.296365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID He7MAgGvkr2
Name L-Alanine, N-(2-thienylcarbonyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 437.296365420 u
Formula C25H43NO3S
InChI InChI=1S/C25H43NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-25(28)22(2)26-24(27)23-19-18-21-30-23/h18-19,21-22H,3-17,20H2,1-2H3,(H,26,27)
InChIKey WPRHJVBHOVJXBR-UHFFFAOYSA-N
Molecular Weight 437.683 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(C(NC(C=1SC=CC1)=O)C)=O