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

View entire compound with spectra: 1 NMR

L-Alanine, N-(2-thienylcarbonyl)-, hexadecyl ester
SpectraBase Compound ID 1394nUAUXuR
InChI InChI=1S/C24H41NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-24(27)21(2)25-23(26)22-18-17-20-29-22/h17-18,20-21H,3-16,19H2,1-2H3,(H,25,26)
InChIKey CQKNELVFOMKRPG-UHFFFAOYSA-N
Mol Weight 423.7 g/mol
Molecular Formula C24H41NO3S
Exact Mass 423.280715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LrITVpgEmTo
Name L-Alanine, N-(2-thienylcarbonyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.280715355 u
Formula C24H41NO3S
InChI InChI=1S/C24H41NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-24(27)21(2)25-23(26)22-18-17-20-29-22/h17-18,20-21H,3-16,19H2,1-2H3,(H,25,26)
InChIKey CQKNELVFOMKRPG-UHFFFAOYSA-N
Molecular Weight 423.656 g/mol
SMILES CCCCCCCCCCCCCCCCOC(C(NC(C=1SC=CC1)=O)C)=O