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

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L-Valine, N-(3-trifluoromethylbenzoyl)-, eicosyl ester
SpectraBase Compound ID 2k1QtkaVRqW
InChI InChI=1S/C33H54F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-40-32(39)30(27(2)3)37-31(38)28-23-22-24-29(26-28)33(34,35)36/h22-24,26-27,30H,4-21,25H2,1-3H3,(H,37,38)
InChIKey IUDXNGYYPYOTSV-UHFFFAOYSA-N
Mol Weight 569.8 g/mol
Molecular Formula C33H54F3NO3
Exact Mass 569.405579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 19L3WcxJ3Pv
Name L-Valine, N-(3-trifluoromethylbenzoyl)-, eicosyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 569.405579089 u
Formula C33H54F3NO3
InChI InChI=1S/C33H54F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-40-32(39)30(27(2)3)37-31(38)28-23-22-24-29(26-28)33(34,35)36/h22-24,26-27,30H,4-21,25H2,1-3H3,(H,37,38)
InChIKey IUDXNGYYPYOTSV-UHFFFAOYSA-N
Molecular Weight 569.794 g/mol
SMILES C(C1=CC=CC(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCCCCCCC)=O)(F)(F)F