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

View entire compound with spectra: 1 NMR

L-Alanine, N-(2-thienylcarbonyl)-, tridecyl ester
SpectraBase Compound ID 9m1rABwNjru
InChI InChI=1S/C21H35NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-16-25-21(24)18(2)22-20(23)19-15-14-17-26-19/h14-15,17-18H,3-13,16H2,1-2H3,(H,22,23)
InChIKey GQHJRJDDQWRKST-UHFFFAOYSA-N
Mol Weight 381.6 g/mol
Molecular Formula C21H35NO3S
Exact Mass 381.233765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Gnkk9m90KO
Name L-Alanine, N-(2-thienylcarbonyl)-, tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 381.233765162 u
Formula C21H35NO3S
InChI InChI=1S/C21H35NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-16-25-21(24)18(2)22-20(23)19-15-14-17-26-19/h14-15,17-18H,3-13,16H2,1-2H3,(H,22,23)
InChIKey GQHJRJDDQWRKST-UHFFFAOYSA-N
Molecular Weight 381.575 g/mol
SMILES CCCCCCCCCCCCCOC(C(NC(C=1SC=CC1)=O)C)=O