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2,2,2-trifluoroacetic acid compound with 2-((3-(4-chlorophenyl)-3-oxopropyl)amino)-4-(methylthio)butanoic acid (1:1)

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2,2,2-trifluoroacetic acid compound with 2-((3-(4-chlorophenyl)-3-oxopropyl)amino)-4-(methylthio)butanoic acid (1:1)
SpectraBase Compound ID FronzdBj9c0
InChI InChI=1S/C14H18ClNO3S.C2HF3O2/c1-20-9-7-12(14(18)19)16-8-6-13(17)10-2-4-11(15)5-3-10;3-2(4,5)1(6)7/h2-5,12,16H,6-9H2,1H3,(H,18,19);(H,6,7)
InChIKey DZNOSUINPBQRDF-UHFFFAOYSA-N
Mol Weight 429.84 g/mol
Molecular Formula C16H19ClF3NO5S
Exact Mass 429.062456 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2QukLvqHIRj
Name 2,2,2-trifluoroacetic acid compound with 2-((3-(4-chlorophenyl)-3-oxopropyl)amino)-4-(methylthio)butanoic acid (1:1)
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C14H18ClNO3S.C2HF3O2/c1-20-9-7-12(14(18)19)16-8-6-13(17)10-2-4-11(15)5-3-10;3-2(4,5)1(6)7/h2-5,12,16H,6-9H2,1H3,(H,18,19);(H,6,7)
InChIKey DZNOSUINPBQRDF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_5669
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11288455