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L-Valine, N-(3-phenylpropionyl)-, pentyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(3-phenylpropionyl)-, pentyl ester
SpectraBase Compound ID HSLZ3WAvZFF
InChI InChI=1S/C19H29NO3/c1-4-5-9-14-23-19(22)18(15(2)3)20-17(21)13-12-16-10-7-6-8-11-16/h6-8,10-11,15,18H,4-5,9,12-14H2,1-3H3,(H,20,21)
InChIKey QMXKQAMCSADTHI-UHFFFAOYSA-N
Mol Weight 319.45 g/mol
Molecular Formula C19H29NO3
Exact Mass 319.214744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hh9jUeZp62C
Name L-Valine, N-(3-phenylpropionyl)-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 319.214743795 u
Formula C19H29NO3
InChI InChI=1S/C19H29NO3/c1-4-5-9-14-23-19(22)18(15(2)3)20-17(21)13-12-16-10-7-6-8-11-16/h6-8,10-11,15,18H,4-5,9,12-14H2,1-3H3,(H,20,21)
InChIKey QMXKQAMCSADTHI-UHFFFAOYSA-N
Molecular Weight 319.445 g/mol
SMILES C(C)(C(NC(=O)CCC1=CC=CC=C1)C(=O)OCCCCC)C