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

View entire compound with spectra: 1 NMR

L-Alanine, N-(2-thienylcarbonyl)-, tetradecyl ester
SpectraBase Compound ID ImfcREXSSJ3
InChI InChI=1S/C22H37NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-26-22(25)19(2)23-21(24)20-16-15-18-27-20/h15-16,18-19H,3-14,17H2,1-2H3,(H,23,24)
InChIKey JXJHFQBYEQFSKP-UHFFFAOYSA-N
Mol Weight 395.6 g/mol
Molecular Formula C22H37NO3S
Exact Mass 395.249415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5uhRKgsgMky
Name L-Alanine, N-(2-thienylcarbonyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 395.249415226 u
Formula C22H37NO3S
InChI InChI=1S/C22H37NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-26-22(25)19(2)23-21(24)20-16-15-18-27-20/h15-16,18-19H,3-14,17H2,1-2H3,(H,23,24)
InChIKey JXJHFQBYEQFSKP-UHFFFAOYSA-N
Molecular Weight 395.602 g/mol
SMILES CCCCCCCCCCCCCCOC(C(NC(C=1SC=CC1)=O)C)=O