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L-Valine, N-(3,4-difluorobenzoyl)-, pentyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(3,4-difluorobenzoyl)-, pentyl ester
SpectraBase Compound ID 8JUXS1NuvCb
InChI InChI=1S/C17H23F2NO3/c1-4-5-6-9-23-17(22)15(11(2)3)20-16(21)12-7-8-13(18)14(19)10-12/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,20,21)
InChIKey AECPSUWIVIULHV-UHFFFAOYSA-N
Mol Weight 327.37 g/mol
Molecular Formula C17H23F2NO3
Exact Mass 327.1646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BiH2XO0bITY
Name L-Valine, N-(3,4-difluorobenzoyl)-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 327.164599928 u
Formula C17H23F2NO3
InChI InChI=1S/C17H23F2NO3/c1-4-5-6-9-23-17(22)15(11(2)3)20-16(21)12-7-8-13(18)14(19)10-12/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,20,21)
InChIKey AECPSUWIVIULHV-UHFFFAOYSA-N
Molecular Weight 327.372 g/mol
SMILES C1(=C(C=C(C=C1)C(NC(C(C)C)C(OCCCCC)=O)=O)F)F