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L-Valine, N-pentafluorobenzoyl-, pentyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-pentafluorobenzoyl-, pentyl ester
SpectraBase Compound ID BEuHL5gTyZ6
InChI InChI=1S/C17H20F5NO3/c1-4-5-6-7-26-17(25)15(8(2)3)23-16(24)9-10(18)12(20)14(22)13(21)11(9)19/h8,15H,4-7H2,1-3H3,(H,23,24)
InChIKey BWCHYXCAWRMRDI-UHFFFAOYSA-N
Mol Weight 381.34 g/mol
Molecular Formula C17H20F5NO3
Exact Mass 381.136334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7RxGifZNOnB
Name L-Valine, N-pentafluorobenzoyl-, pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.136334320 u
Formula C17H20F5NO3
InChI InChI=1S/C17H20F5NO3/c1-4-5-6-7-26-17(25)15(8(2)3)23-16(24)9-10(18)12(20)14(22)13(21)11(9)19/h8,15H,4-7H2,1-3H3,(H,23,24)
InChIKey BWCHYXCAWRMRDI-UHFFFAOYSA-N
Molecular Weight 381.343 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)C(=O)NC(C(C)C)C(=O)OCCCCC)F)F)F