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2,2,2-trifluoroacetic acid compound with 3-(1H-indol-3-yl)-2-((3-oxo-3-(4-(pentyloxy)phenyl)propyl)amino)propanoic acid (1:1)

View entire compound with spectra: 1 NMR

2,2,2-trifluoroacetic acid compound with 3-(1H-indol-3-yl)-2-((3-oxo-3-(4-(pentyloxy)phenyl)propyl)amino)propanoic acid (1:1)
SpectraBase Compound ID 7A1FSsu4ZOe
InChI InChI=1S/C25H30N2O4.C2HF3O2/c1-2-3-6-15-31-20-11-9-18(10-12-20)24(28)13-14-26-23(25(29)30)16-19-17-27-22-8-5-4-7-21(19)22;3-2(4,5)1(6)7/h4-5,7-12,17,23,26-27H,2-3,6,13-16H2,1H3,(H,29,30);(H,6,7)
InChIKey BXEQYCVWZHWZEF-UHFFFAOYSA-N
Mol Weight 536.55 g/mol
Molecular Formula C27H31F3N2O6
Exact Mass 536.213421 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ENd59QQU2mQ
Name 2,2,2-trifluoroacetic acid compound with 3-(1H-indol-3-yl)-2-((3-oxo-3-(4-(pentyloxy)phenyl)propyl)amino)propanoic 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/C25H30N2O4.C2HF3O2/c1-2-3-6-15-31-20-11-9-18(10-12-20)24(28)13-14-26-23(25(29)30)16-19-17-27-22-8-5-4-7-21(19)22;3-2(4,5)1(6)7/h4-5,7-12,17,23,26-27H,2-3,6,13-16H2,1H3,(H,29,30);(H,6,7)
InChIKey BXEQYCVWZHWZEF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_5675
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/11288465