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N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
SpectraBase Compound ID 3GaAEhprJjd
InChI InChI=1S/C21H20Cl3N5O/c22-14-5-8-16(9-6-14)29(21(30)25-15-7-10-17(23)18(24)12-15)13-20-27-26-19-4-2-1-3-11-28(19)20/h5-10,12H,1-4,11,13H2,(H,25,30)
InChIKey LBVYHFOFQQNAAI-UHFFFAOYSA-N
Mol Weight 464.78 g/mol
Molecular Formula C21H20Cl3N5O
Exact Mass 463.073343 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EhD5Np73r5B
Name N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
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/C21H20Cl3N5O/c22-14-5-8-16(9-6-14)29(21(30)25-15-7-10-17(23)18(24)12-15)13-20-27-26-19-4-2-1-3-11-28(19)20/h5-10,12H,1-4,11,13H2,(H,25,30)
InChIKey LBVYHFOFQQNAAI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5529
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/11221738; Labnumber: 0699; IOH_ID: IOH-005530