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L-Leucine, N-(4-methylbenzoyl)-, heptyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-(4-methylbenzoyl)-, heptyl ester
SpectraBase Compound ID 9jWmA9FRfCP
InChI InChI=1S/C21H33NO3/c1-5-6-7-8-9-14-25-21(24)19(15-16(2)3)22-20(23)18-12-10-17(4)11-13-18/h10-13,16,19H,5-9,14-15H2,1-4H3,(H,22,23)
InChIKey STWBTRIGAJCBMO-UHFFFAOYSA-N
Mol Weight 347.5 g/mol
Molecular Formula C21H33NO3
Exact Mass 347.246044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ByPyFHJ9VJU
Name L-Leucine, N-(4-methylbenzoyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 347.246043924 u
Formula C21H33NO3
InChI InChI=1S/C21H33NO3/c1-5-6-7-8-9-14-25-21(24)19(15-16(2)3)22-20(23)18-12-10-17(4)11-13-18/h10-13,16,19H,5-9,14-15H2,1-4H3,(H,22,23)
InChIKey STWBTRIGAJCBMO-UHFFFAOYSA-N
Molecular Weight 347.499 g/mol
SMILES C1=C(C=CC(=C1)C(NC(C(OCCCCCCC)=O)CC(C)C)=O)C