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

View entire compound with spectra: 1 NMR

L-Valine, N-(2,6-difluorobenzoyl)-, octyl ester
SpectraBase Compound ID 3rAb5iUPvjj
InChI InChI=1S/C20H29F2NO3/c1-4-5-6-7-8-9-13-26-20(25)18(14(2)3)23-19(24)17-15(21)11-10-12-16(17)22/h10-12,14,18H,4-9,13H2,1-3H3,(H,23,24)
InChIKey HMMTUGNLCDAGJA-UHFFFAOYSA-N
Mol Weight 369.45 g/mol
Molecular Formula C20H29F2NO3
Exact Mass 369.21155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1NW9k2u9WbD
Name L-Valine, N-(2,6-difluorobenzoyl)-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.211550121 u
Formula C20H29F2NO3
InChI InChI=1S/C20H29F2NO3/c1-4-5-6-7-8-9-13-26-20(25)18(14(2)3)23-19(24)17-15(21)11-10-12-16(17)22/h10-12,14,18H,4-9,13H2,1-3H3,(H,23,24)
InChIKey HMMTUGNLCDAGJA-UHFFFAOYSA-N
Molecular Weight 369.453 g/mol
SMILES C(C(C(=O)OCCCCCCCC)NC(=O)C1=C(C=CC=C1F)F)(C)C