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.beta.-Alanine, N-(3-trifluoromethylbenzoyl)-, pentadecyl ester

View entire compound with spectra: 1 NMR

.beta.-Alanine, N-(3-trifluoromethylbenzoyl)-, pentadecyl ester
SpectraBase Compound ID 2wneyIiqy0m
InChI InChI=1S/C26H40F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-33-24(31)18-19-30-25(32)22-16-15-17-23(21-22)26(27,28)29/h15-17,21H,2-14,18-20H2,1H3,(H,30,32)
InChIKey UZSRVXIDJBYBOZ-UHFFFAOYSA-N
Mol Weight 471.6 g/mol
Molecular Formula C26H40F3NO3
Exact Mass 471.296029 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CbxOvVUA5mW
Name .beta.-Alanine, N-(3-trifluoromethylbenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 471.296028638 u
Formula C26H40F3NO3
InChI InChI=1S/C26H40F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-33-24(31)18-19-30-25(32)22-16-15-17-23(21-22)26(27,28)29/h15-17,21H,2-14,18-20H2,1H3,(H,30,32)
InChIKey UZSRVXIDJBYBOZ-UHFFFAOYSA-N
Molecular Weight 471.605 g/mol
SMILES C1=C(C=CC=C1C(NCCC(OCCCCCCCCCCCCCCC)=O)=O)C(F)(F)F