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

View entire compound with spectra: 1 NMR

L-Valine, N-(2,6-difluorobenzoyl)-, heptyl ester
SpectraBase Compound ID 5EqYEo7o57t
InChI InChI=1S/C19H27F2NO3/c1-4-5-6-7-8-12-25-19(24)17(13(2)3)22-18(23)16-14(20)10-9-11-15(16)21/h9-11,13,17H,4-8,12H2,1-3H3,(H,22,23)
InChIKey HBEBGDGXETWNHJ-UHFFFAOYSA-N
Mol Weight 355.43 g/mol
Molecular Formula C19H27F2NO3
Exact Mass 355.1959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1YbjrY8jsTm
Name L-Valine, N-(2,6-difluorobenzoyl)-, heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.195900056 u
Formula C19H27F2NO3
InChI InChI=1S/C19H27F2NO3/c1-4-5-6-7-8-12-25-19(24)17(13(2)3)22-18(23)16-14(20)10-9-11-15(16)21/h9-11,13,17H,4-8,12H2,1-3H3,(H,22,23)
InChIKey HBEBGDGXETWNHJ-UHFFFAOYSA-N
Molecular Weight 355.426 g/mol
SMILES C(C(C(=O)OCCCCCCC)NC(=O)C1=C(C=CC=C1F)F)(C)C