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2-(4'-chloro-1,1''-dimethyl-1H,1'H,1''H-[4,3':5',4''-terpyrazol]-1'-yl)-N-(p-tolyl)acetamide
SpectraBase Compound ID KEivujs2BNm
InChI InChI=1S/C20H20ClN7O/c1-13-4-6-16(7-5-13)24-17(29)12-28-20(15-9-23-27(3)11-15)18(21)19(25-28)14-8-22-26(2)10-14/h4-11H,12H2,1-3H3,(H,24,29)
InChIKey ZDPCVRHZQJIZOH-UHFFFAOYSA-N
Mol Weight 409.88 g/mol
Molecular Formula C20H20ClN7O
Exact Mass 409.141786 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2ywvfg1aFFX
Name 2-(4'-chloro-1,1''-dimethyl-1H,1'H,1''H-[4,3':5',4''-terpyrazol]-1'-yl)-N-(p-tolyl)acetamide
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/C20H20ClN7O/c1-13-4-6-16(7-5-13)24-17(29)12-28-20(15-9-23-27(3)11-15)18(21)19(25-28)14-8-22-26(2)10-14/h4-11H,12H2,1-3H3,(H,24,29)
InChIKey ZDPCVRHZQJIZOH-UHFFFAOYSA-N
NMR Offset 17.9116
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31348
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: 1769827; SBI_ID: SBI-031352
Temperature 303 °C