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

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L-Valine, N-(3-trifluoromethylbenzoyl)-, nonadecyl ester
SpectraBase Compound ID 5PtWDAHrbCc
InChI InChI=1S/C32H52F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-39-31(38)29(26(2)3)36-30(37)27-22-21-23-28(25-27)32(33,34)35/h21-23,25-26,29H,4-20,24H2,1-3H3,(H,36,37)
InChIKey RHZTWHIKOHFLOR-UHFFFAOYSA-N
Mol Weight 555.8 g/mol
Molecular Formula C32H52F3NO3
Exact Mass 555.389929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GArLqA9zvYZ
Name L-Valine, N-(3-trifluoromethylbenzoyl)-, nonadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 555.389929024 u
Formula C32H52F3NO3
InChI InChI=1S/C32H52F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-39-31(38)29(26(2)3)36-30(37)27-22-21-23-28(25-27)32(33,34)35/h21-23,25-26,29H,4-20,24H2,1-3H3,(H,36,37)
InChIKey RHZTWHIKOHFLOR-UHFFFAOYSA-N
Molecular Weight 555.767 g/mol
SMILES C(C1=CC=CC(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCCCCCC)=O)(F)(F)F