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L-Leucine, N-(thiophen-2-carbonyl)-, tetradecyl ester

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L-Leucine, N-(thiophen-2-carbonyl)-, tetradecyl ester
SpectraBase Compound ID E7pkoQprwhD
InChI InChI=1S/C25H43NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-29-25(28)22(20-21(2)3)26-24(27)23-17-16-19-30-23/h16-17,19,21-22H,4-15,18,20H2,1-3H3,(H,26,27)
InChIKey SPYJHQNQQJJJHJ-UHFFFAOYSA-N
Mol Weight 437.7 g/mol
Molecular Formula C25H43NO3S
Exact Mass 437.296365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C6P8SoBhfei
Name L-Leucine, N-(thiophen-2-carbonyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 437.296365420 u
Formula C25H43NO3S
InChI InChI=1S/C25H43NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-29-25(28)22(20-21(2)3)26-24(27)23-17-16-19-30-23/h16-17,19,21-22H,4-15,18,20H2,1-3H3,(H,26,27)
InChIKey SPYJHQNQQJJJHJ-UHFFFAOYSA-N
Molecular Weight 437.683 g/mol
SMILES CCCCCCCCCCCCCCOC(C(NC(C=1SC=CC1)=O)CC(C)C)=O