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3-Amino-1,1,1-trifluoro-4-phenylbutan-2-ol, N-methyl-, acetate

View entire compound with spectra: 1 FTIR

3-Amino-1,1,1-trifluoro-4-phenylbutan-2-ol, N-methyl-, acetate
SpectraBase Compound ID LmYkCvi3Q6h
InChI InChI=1S/C14H16F3NO3/c1-9(19)18-12(8-11-6-4-3-5-7-11)13(14(15,16)17)21-10(2)20/h3-7,12-13H,8H2,1-2H3,(H,18,19)
InChIKey GPGQCPHJORDJKH-UHFFFAOYSA-N
Mol Weight 303.28 g/mol
Molecular Formula C14H16F3NO3
Exact Mass 303.108228 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7RQaRoXG6Kh
Name 3-Amino-1,1,1-trifluoro-4-phenylbutan-2-ol, N-methyl-, acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.108227865 u
Formula C14H16F3NO3
InChI InChI=1S/C14H16F3NO3/c1-9(19)18-12(8-11-6-4-3-5-7-11)13(14(15,16)17)21-10(2)20/h3-7,12-13H,8H2,1-2H3,(H,18,19)
InChIKey GPGQCPHJORDJKH-UHFFFAOYSA-N
Molecular Weight 303.281 g/mol
SMILES C(F)(F)(F)C(OC(C)=O)C(NC(C)=O)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835419