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L-Valine, N-(2,6-difluorobenzoyl)-, hexyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(2,6-difluorobenzoyl)-, hexyl ester
SpectraBase Compound ID LXYwNsqsj8Y
InChI InChI=1S/C18H25F2NO3/c1-4-5-6-7-11-24-18(23)16(12(2)3)21-17(22)15-13(19)9-8-10-14(15)20/h8-10,12,16H,4-7,11H2,1-3H3,(H,21,22)
InChIKey PURSPZPABDNROW-UHFFFAOYSA-N
Mol Weight 341.4 g/mol
Molecular Formula C18H25F2NO3
Exact Mass 341.18025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JuTAx8nRpNk
Name L-Valine, N-(2,6-difluorobenzoyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 341.180249992 u
Formula C18H25F2NO3
InChI InChI=1S/C18H25F2NO3/c1-4-5-6-7-11-24-18(23)16(12(2)3)21-17(22)15-13(19)9-8-10-14(15)20/h8-10,12,16H,4-7,11H2,1-3H3,(H,21,22)
InChIKey PURSPZPABDNROW-UHFFFAOYSA-N
Molecular Weight 341.399 g/mol
SMILES C(C(C)C)(C(=O)OCCCCCC)NC(=O)C1=C(C=CC=C1F)F