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(1S)-1-(3-Methoxyphenyl)-N,N-dimethylethylamine-trifluoroacetic-acid-salt

View entire compound with spectra: 2 NMR

(1S)-1-(3-Methoxyphenyl)-N,N-dimethylethylamine-trifluoroacetic-acid-salt
SpectraBase Compound ID I37IaX8Tacm
InChI InChI=1S/C11H17NO.C2HF3O2/c1-9(12(2)3)10-6-5-7-11(8-10)13-4;3-2(4,5)1(6)7/h5-9H,1-4H3;(H,6,7)/t9-;/m0./s1
InChIKey CILCWPRPOACRBL-FVGYRXGTSA-N
Mol Weight 293.29 g/mol
Molecular Formula C13H18F3NO3
Exact Mass 293.123878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ZKPF7ftpb8
Name (1S)-1-(3-Methoxyphenyl)-N,N-dimethylethylamine-trifluoroacetic-acid-salt
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.123877930 u
Formula C13H18F3NO3
InChI InChI=1S/C11H17NO.C2HF3O2/c1-9(12(2)3)10-6-5-7-11(8-10)13-4;3-2(4,5)1(6)7/h5-9H,1-4H3;(H,6,7)/t9-;/m0./s1
InChIKey CILCWPRPOACRBL-FVGYRXGTSA-N
Molecular Weight 293.286 g/mol
SMILES C([O-])(=O)C(F)(F)F.C[NH+](C)[C@@](C)(C1=CC(=CC=C1)OC)[H]