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N'-(3-chlorophenyl)-N-(4-methoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
SpectraBase Compound ID 1wKDWjjSZWv
InChI InChI=1S/C22H24ClN5O2/c1-30-19-11-9-18(10-12-19)28(22(29)24-17-7-5-6-16(23)14-17)15-21-26-25-20-8-3-2-4-13-27(20)21/h5-7,9-12,14H,2-4,8,13,15H2,1H3,(H,24,29)
InChIKey XVVFAULNAMRMGI-UHFFFAOYSA-N
Mol Weight 425.92 g/mol
Molecular Formula C22H24ClN5O2
Exact Mass 425.161853 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hx8WWFI0zpU
Name N'-(3-chlorophenyl)-N-(4-methoxyphenyl)-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/C22H24ClN5O2/c1-30-19-11-9-18(10-12-19)28(22(29)24-17-7-5-6-16(23)14-17)15-21-26-25-20-8-3-2-4-13-27(20)21/h5-7,9-12,14H,2-4,8,13,15H2,1H3,(H,24,29)
InChIKey XVVFAULNAMRMGI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5487
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/11221673; Labnumber: 0623; IOH_ID: IOH-005488