For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N'-(3,4-dichlorophenyl)-N-phenyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
SpectraBase Compound ID KMXCqgB9GvO
InChI InChI=1S/C21H21Cl2N5O/c22-17-11-10-15(13-18(17)23)24-21(29)28(16-7-3-1-4-8-16)14-20-26-25-19-9-5-2-6-12-27(19)20/h1,3-4,7-8,10-11,13H,2,5-6,9,12,14H2,(H,24,29)
InChIKey KXURMIGWWSNFBN-UHFFFAOYSA-N
Mol Weight 430.34 g/mol
Molecular Formula C21H21Cl2N5O
Exact Mass 429.112316 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AVTVWQSsIVz
Name N'-(3,4-dichlorophenyl)-N-phenyl-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/C21H21Cl2N5O/c22-17-11-10-15(13-18(17)23)24-21(29)28(16-7-3-1-4-8-16)14-20-26-25-19-9-5-2-6-12-27(19)20/h1,3-4,7-8,10-11,13H,2,5-6,9,12,14H2,(H,24,29)
InChIKey KXURMIGWWSNFBN-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5483
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/11221669; Labnumber: 0619; IOH_ID: IOH-005484