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.beta.-Alanine, N-(thiophene-2-carbonyl)-, pentadecyl ester

View entire compound with spectra: 1 NMR

.beta.-Alanine, N-(thiophene-2-carbonyl)-, pentadecyl ester
SpectraBase Compound ID 5e8GbmB3azo
InChI InChI=1S/C23H39NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-27-22(25)17-18-24-23(26)21-16-15-20-28-21/h15-16,20H,2-14,17-19H2,1H3,(H,24,26)
InChIKey SFRZJNJOUOKRRD-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 BsuXgAmkqHY
Name .beta.-Alanine, N-(thiophene-2-carbonyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 409.265065291 u
Formula C23H39NO3S
InChI InChI=1S/C23H39NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-27-22(25)17-18-24-23(26)21-16-15-20-28-21/h15-16,20H,2-14,17-19H2,1H3,(H,24,26)
InChIKey SFRZJNJOUOKRRD-UHFFFAOYSA-N
Molecular Weight 409.629 g/mol
SMILES CCCCCCCCCCCCCCCOC(CCNC(C=1SC=CC1)=O)=O