For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

.beta.-Alanine, N-(3-trifluoromethylbenzoyl)-, dodecyl ester
SpectraBase Compound ID 9ga1EDfhT4B
InChI InChI=1S/C23H34F3NO3/c1-2-3-4-5-6-7-8-9-10-11-17-30-21(28)15-16-27-22(29)19-13-12-14-20(18-19)23(24,25)26/h12-14,18H,2-11,15-17H2,1H3,(H,27,29)
InChIKey IFQPWUYPEWAEOW-UHFFFAOYSA-N
Mol Weight 429.5 g/mol
Molecular Formula C23H34F3NO3
Exact Mass 429.249078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JnDWsCjOD0I
Name .beta.-Alanine, N-(3-trifluoromethylbenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.249078445 u
Formula C23H34F3NO3
InChI InChI=1S/C23H34F3NO3/c1-2-3-4-5-6-7-8-9-10-11-17-30-21(28)15-16-27-22(29)19-13-12-14-20(18-19)23(24,25)26/h12-14,18H,2-11,15-17H2,1H3,(H,27,29)
InChIKey IFQPWUYPEWAEOW-UHFFFAOYSA-N
Molecular Weight 429.524 g/mol
SMILES C1=C(C=CC=C1C(NCCC(OCCCCCCCCCCCC)=O)=O)C(F)(F)F