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

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L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, dodecyl ester
SpectraBase Compound ID ITwljVeZ3Sb
InChI InChI=1S/C26H37F6NO3/c1-4-5-6-7-8-9-10-11-12-13-16-36-24(35)22(18(2)3)33-23(34)20-17-19(25(27,28)29)14-15-21(20)26(30,31)32/h14-15,17-18,22H,4-13,16H2,1-3H3,(H,33,34)
InChIKey MTWXOSIINWAGKO-UHFFFAOYSA-N
Mol Weight 525.6 g/mol
Molecular Formula C26H37F6NO3
Exact Mass 525.267763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 427JmXh84Sw
Name L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 525.267763030 u
Formula C26H37F6NO3
InChI InChI=1S/C26H37F6NO3/c1-4-5-6-7-8-9-10-11-12-13-16-36-24(35)22(18(2)3)33-23(34)20-17-19(25(27,28)29)14-15-21(20)26(30,31)32/h14-15,17-18,22H,4-13,16H2,1-3H3,(H,33,34)
InChIKey MTWXOSIINWAGKO-UHFFFAOYSA-N
Molecular Weight 525.576 g/mol
SMILES CCCCCCCCCCCCOC(C(C(C)C)NC(=O)C1=CC(=CC=C1C(F)(F)F)C(F)(F)F)=O