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2,2,2-trifluoroacetic acid compound with 4-(methylthio)-2-((3-oxo-3-(4-(pentyloxy)phenyl)propyl)amino)butanoic acid (1:1)

View entire compound with spectra: 1 NMR

2,2,2-trifluoroacetic acid compound with 4-(methylthio)-2-((3-oxo-3-(4-(pentyloxy)phenyl)propyl)amino)butanoic acid (1:1)
SpectraBase Compound ID EMu7vrQRPuf
InChI InChI=1S/C19H29NO4S.C2HF3O2/c1-3-4-5-13-24-16-8-6-15(7-9-16)18(21)10-12-20-17(19(22)23)11-14-25-2;3-2(4,5)1(6)7/h6-9,17,20H,3-5,10-14H2,1-2H3,(H,22,23);(H,6,7)
InChIKey SYFQNJAJBBNUFB-UHFFFAOYSA-N
Mol Weight 481.53 g/mol
Molecular Formula C21H30F3NO6S
Exact Mass 481.174593 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AHN4jRuj20g
Name 2,2,2-trifluoroacetic acid compound with 4-(methylthio)-2-((3-oxo-3-(4-(pentyloxy)phenyl)propyl)amino)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/C19H29NO4S.C2HF3O2/c1-3-4-5-13-24-16-8-6-15(7-9-16)18(21)10-12-20-17(19(22)23)11-14-25-2;3-2(4,5)1(6)7/h6-9,17,20H,3-5,10-14H2,1-2H3,(H,22,23);(H,6,7)
InChIKey SYFQNJAJBBNUFB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_5671
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/11288459