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N'-(3-chlorophenyl)-N-(4-chlorophenyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
SpectraBase Compound ID HdkNjIfsz1P
InChI InChI=1S/C21H21Cl2N5O/c22-15-8-10-18(11-9-15)28(21(29)24-17-6-4-5-16(23)13-17)14-20-26-25-19-7-2-1-3-12-27(19)20/h4-6,8-11,13H,1-3,7,12,14H2,(H,24,29)
InChIKey FXRUPDHTMRRRLE-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

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SpectraBase Spectrum ID GS9KTdGJ9KR
Name N'-(3-chlorophenyl)-N-(4-chlorophenyl)-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 © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H21Cl2N5O/c22-15-8-10-18(11-9-15)28(21(29)24-17-6-4-5-16(23)13-17)14-20-26-25-19-7-2-1-3-12-27(19)20/h4-6,8-11,13H,1-3,7,12,14H2,(H,24,29)
InChIKey FXRUPDHTMRRRLE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5528
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/11221737; Labnumber: 0698; IOH_ID: IOH-005529