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N-[2-chloro-3-{[(dibenzylamino)acetyl]amino}-5-(trifluoromethyl)phenyl]-2-(dibenzylamino)acetamide
SpectraBase Compound ID EjAPbRLixv3
InChI InChI=1S/C39H36ClF3N4O2/c40-38-34(44-36(48)27-46(23-29-13-5-1-6-14-29)24-30-15-7-2-8-16-30)21-33(39(41,42)43)22-35(38)45-37(49)28-47(25-31-17-9-3-10-18-31)26-32-19-11-4-12-20-32/h1-22H,23-28H2,(H,44,48)(H,45,49)
InChIKey PYTSNGUQZZTLEI-UHFFFAOYSA-N
Mol Weight 685.2 g/mol
Molecular Formula C39H36ClF3N4O2
Exact Mass 684.247889 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IBchQEF5IeJ
Name N-[2-chloro-3-{[(dibenzylamino)acetyl]amino}-5-(trifluoromethyl)phenyl]-2-(dibenzylamino)acetamide
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/C39H36ClF3N4O2/c40-38-34(44-36(48)27-46(23-29-13-5-1-6-14-29)24-30-15-7-2-8-16-30)21-33(39(41,42)43)22-35(38)45-37(49)28-47(25-31-17-9-3-10-18-31)26-32-19-11-4-12-20-32/h1-22H,23-28H2,(H,44,48)(H,45,49)
InChIKey PYTSNGUQZZTLEI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_569
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: C34230; Labnumber: MSHIT-0040; SBI_ID: SBI-000571
Temperature 318 °C