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

View entire compound with spectra: 1 NMR

L-Alanine, N-(2-thienylcarbonyl)-, pentadecyl ester
SpectraBase Compound ID 38kV7SEBNe9
InChI InChI=1S/C23H39NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-23(26)20(2)24-22(25)21-17-16-19-28-21/h16-17,19-20H,3-15,18H2,1-2H3,(H,24,25)
InChIKey MZBBWTMKIUWTEZ-UHFFFAOYSA-N
Mol Weight 409.6 g/mol
Molecular Formula C23H39NO3S
Exact Mass 409.265065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4SPujxdzEYi
Name L-Alanine, N-(2-thienylcarbonyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 409.265065291 u
Formula C23H39NO3S
InChI InChI=1S/C23H39NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-23(26)20(2)24-22(25)21-17-16-19-28-21/h16-17,19-20H,3-15,18H2,1-2H3,(H,24,25)
InChIKey MZBBWTMKIUWTEZ-UHFFFAOYSA-N
Molecular Weight 409.629 g/mol
SMILES CCCCCCCCCCCCCCCOC(C(NC(C=1SC=CC1)=O)C)=O