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

View entire compound with spectra: 1 NMR

.beta.-Alanine, N-(thiophene-2-carbonyl)-, tetradecyl ester
SpectraBase Compound ID KpyeNXD2EZb
InChI InChI=1S/C22H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-26-21(24)16-17-23-22(25)20-15-14-19-27-20/h14-15,19H,2-13,16-18H2,1H3,(H,23,25)
InChIKey JYLDGWQKLHIOBC-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 Il2YPePmwfw
Name .beta.-Alanine, N-(thiophene-2-carbonyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 395.249415226 u
Formula C22H37NO3S
InChI InChI=1S/C22H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-26-21(24)16-17-23-22(25)20-15-14-19-27-20/h14-15,19H,2-13,16-18H2,1H3,(H,23,25)
InChIKey JYLDGWQKLHIOBC-UHFFFAOYSA-N
Molecular Weight 395.602 g/mol
SMILES CCCCCCCCCCCCCCOC(CCNC(C=1SC=CC1)=O)=O