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L-Valine, N-(3-trifluoromethylbenzoyl)-, hexadecyl ester

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L-Valine, N-(3-trifluoromethylbenzoyl)-, hexadecyl ester
SpectraBase Compound ID CxskBtQk3Bl
InChI InChI=1S/C29H46F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-36-28(35)26(23(2)3)33-27(34)24-19-18-20-25(22-24)29(30,31)32/h18-20,22-23,26H,4-17,21H2,1-3H3,(H,33,34)
InChIKey FWZNEBJOUCJOAL-UHFFFAOYSA-N
Mol Weight 513.7 g/mol
Molecular Formula C29H46F3NO3
Exact Mass 513.342979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K7n9a7DPhr1
Name L-Valine, N-(3-trifluoromethylbenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 513.342978831 u
Formula C29H46F3NO3
InChI InChI=1S/C29H46F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-36-28(35)26(23(2)3)33-27(34)24-19-18-20-25(22-24)29(30,31)32/h18-20,22-23,26H,4-17,21H2,1-3H3,(H,33,34)
InChIKey FWZNEBJOUCJOAL-UHFFFAOYSA-N
Molecular Weight 513.686 g/mol
SMILES C(C1=CC=CC(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCCC)=O)(F)(F)F