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N'-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
SpectraBase Compound ID 3wxHNcDeZmq
InChI InChI=1S/C22H23Cl2N5O2/c1-31-17-9-7-16(8-10-17)29(22(30)25-15-6-11-18(23)19(24)13-15)14-21-27-26-20-5-3-2-4-12-28(20)21/h6-11,13H,2-5,12,14H2,1H3,(H,25,30)
InChIKey KCWOYLVXBSCURE-UHFFFAOYSA-N
Mol Weight 460.37 g/mol
Molecular Formula C22H23Cl2N5O2
Exact Mass 459.12288 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D1080J7FUED
Name N'-(3,4-dichlorophenyl)-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/C22H23Cl2N5O2/c1-31-17-9-7-16(8-10-17)29(22(30)25-15-6-11-18(23)19(24)13-15)14-21-27-26-20-5-3-2-4-12-28(20)21/h6-11,13H,2-5,12,14H2,1H3,(H,25,30)
InChIKey KCWOYLVXBSCURE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5484
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/11221670; Labnumber: 0620; IOH_ID: IOH-005485