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

View entire compound with spectra: 1 NMR

L-Alanine, N-(2-thienylcarbonyl)-, octadecyl ester
SpectraBase Compound ID 4Qb844tGw8w
InChI InChI=1S/C26H45NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-26(29)23(2)27-25(28)24-20-19-22-31-24/h19-20,22-23H,3-18,21H2,1-2H3,(H,27,28)
InChIKey NFGFLYAXJRZOFB-UHFFFAOYSA-N
Mol Weight 451.7 g/mol
Molecular Formula C26H45NO3S
Exact Mass 451.312015 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EzusBFQep44
Name L-Alanine, N-(2-thienylcarbonyl)-, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.312015484 u
Formula C26H45NO3S
InChI InChI=1S/C26H45NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-26(29)23(2)27-25(28)24-20-19-22-31-24/h19-20,22-23H,3-18,21H2,1-2H3,(H,27,28)
InChIKey NFGFLYAXJRZOFB-UHFFFAOYSA-N
Molecular Weight 451.710 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(C(NC(C=1SC=CC1)=O)C)=O