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1-[4-tert-butyl-1,5-bis(4-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
SpectraBase Compound ID HjTUzPSQ06V
InChI InChI=1S/C20H21Cl2N3O/c1-13(26)18-23-25(17-11-9-16(22)10-12-17)19(24(18)20(2,3)4)14-5-7-15(21)8-6-14/h5-12,19H,1-4H3
InChIKey MKAJAGMUHXGWJB-UHFFFAOYSA-N
Mol Weight 390.31 g/mol
Molecular Formula C20H21Cl2N3O
Exact Mass 389.106168 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9D6lV8dTYZK
Name 1-[4-tert-butyl-1,5-bis(4-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
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/C20H21Cl2N3O/c1-13(26)18-23-25(17-11-9-16(22)10-12-17)19(24(18)20(2,3)4)14-5-7-15(21)8-6-14/h5-12,19H,1-4H3
InChIKey MKAJAGMUHXGWJB-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_3028
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/9223711; Labnumber: LP-3900144
Temperature 303 °C