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N,N'-diphenyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
SpectraBase Compound ID 3QuHexXON0v
InChI InChI=1S/C21H23N5O/c27-21(22-17-10-4-1-5-11-17)26(18-12-6-2-7-13-18)16-20-24-23-19-14-8-3-9-15-25(19)20/h1-2,4-7,10-13H,3,8-9,14-16H2,(H,22,27)
InChIKey RWGRDYMWHDBVGB-UHFFFAOYSA-N
Mol Weight 361.45 g/mol
Molecular Formula C21H23N5O
Exact Mass 361.19026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J2sRHnfNqxF
Name N,N'-diphenyl-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/C21H23N5O/c27-21(22-17-10-4-1-5-11-17)26(18-12-6-2-7-13-18)16-20-24-23-19-14-8-3-9-15-25(19)20/h1-2,4-7,10-13H,3,8-9,14-16H2,(H,22,27)
InChIKey RWGRDYMWHDBVGB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5666
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/11221676; Labnumber: 0626; IOH_ID: IOH-005667