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L-Valine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, dodecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, dodecyl ester
SpectraBase Compound ID FFyN6y1mFTX
InChI InChI=1S/C25H37F4NO3/c1-4-5-6-7-8-9-10-11-12-13-14-33-24(32)22(18(2)3)30-23(31)19-15-20(25(27,28)29)17-21(26)16-19/h15-18,22H,4-14H2,1-3H3,(H,30,31)
InChIKey QPPQLSFFHWLJCT-UHFFFAOYSA-N
Mol Weight 475.6 g/mol
Molecular Formula C25H37F4NO3
Exact Mass 475.270957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7PTF2KYZ0gy
Name L-Valine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 475.270956704 u
Formula C25H37F4NO3
InChI InChI=1S/C25H37F4NO3/c1-4-5-6-7-8-9-10-11-12-13-14-33-24(32)22(18(2)3)30-23(31)19-15-20(25(27,28)29)17-21(26)16-19/h15-18,22H,4-14H2,1-3H3,(H,30,31)
InChIKey QPPQLSFFHWLJCT-UHFFFAOYSA-N
Molecular Weight 475.569 g/mol
SMILES C(C1=CC(=CC(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCC)=O)F)(F)(F)F