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L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, pentadecyl ester

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L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, pentadecyl ester
SpectraBase Compound ID AJKXETvVT4h
InChI InChI=1S/C29H43F6NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-39-27(38)25(21(2)3)36-26(37)23-20-22(28(30,31)32)17-18-24(23)29(33,34)35/h17-18,20-21,25H,4-16,19H2,1-3H3,(H,36,37)
InChIKey SQKBFHOEZFKWDV-UHFFFAOYSA-N
Mol Weight 567.7 g/mol
Molecular Formula C29H43F6NO3
Exact Mass 567.314713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6aTmPzatnQu
Name L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 567.314713224 u
Formula C29H43F6NO3
InChI InChI=1S/C29H43F6NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-39-27(38)25(21(2)3)36-26(37)23-20-22(28(30,31)32)17-18-24(23)29(33,34)35/h17-18,20-21,25H,4-16,19H2,1-3H3,(H,36,37)
InChIKey SQKBFHOEZFKWDV-UHFFFAOYSA-N
Molecular Weight 567.657 g/mol
SMILES C1=CC(=C(C=C1C(F)(F)F)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCC)=O)C(F)(F)F