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

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L-Valine, N-(3,4-difluorobenzoyl)-, hexadecyl ester
SpectraBase Compound ID GnAwrM1DDH0
InChI InChI=1S/C28H45F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-34-28(33)26(22(2)3)31-27(32)23-18-19-24(29)25(30)21-23/h18-19,21-22,26H,4-17,20H2,1-3H3,(H,31,32)
InChIKey AVVTXVOPWKAUFB-UHFFFAOYSA-N
Mol Weight 481.7 g/mol
Molecular Formula C28H45F2NO3
Exact Mass 481.336751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4K46n1qi9nz
Name L-Valine, N-(3,4-difluorobenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 481.336750636 u
Formula C28H45F2NO3
InChI InChI=1S/C28H45F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-34-28(33)26(22(2)3)31-27(32)23-18-19-24(29)25(30)21-23/h18-19,21-22,26H,4-17,20H2,1-3H3,(H,31,32)
InChIKey AVVTXVOPWKAUFB-UHFFFAOYSA-N
Molecular Weight 481.669 g/mol
SMILES C1(=C(C=C(C=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCCC)=O)F)F