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.beta.-Alanine, N-(4-trifluoromethylbenzoyl)-, undecyl ester

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.beta.-Alanine, N-(4-trifluoromethylbenzoyl)-, undecyl ester
SpectraBase Compound ID 4jH4y07iPJn
InChI InChI=1S/C22H32F3NO3/c1-2-3-4-5-6-7-8-9-10-17-29-20(27)15-16-26-21(28)18-11-13-19(14-12-18)22(23,24)25/h11-14H,2-10,15-17H2,1H3,(H,26,28)
InChIKey SZGJZHCCTKJKMS-UHFFFAOYSA-N
Mol Weight 415.5 g/mol
Molecular Formula C22H32F3NO3
Exact Mass 415.233428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AgaY7DGan9x
Name .beta.-Alanine, N-(4-trifluoromethylbenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.233428380 u
Formula C22H32F3NO3
InChI InChI=1S/C22H32F3NO3/c1-2-3-4-5-6-7-8-9-10-17-29-20(27)15-16-26-21(28)18-11-13-19(14-12-18)22(23,24)25/h11-14H,2-10,15-17H2,1H3,(H,26,28)
InChIKey SZGJZHCCTKJKMS-UHFFFAOYSA-N
Molecular Weight 415.497 g/mol
SMILES C1=CC(=CC=C1C(NCCC(OCCCCCCCCCCC)=O)=O)C(F)(F)F