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ethanediamide, N~1~-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N~2~-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-
SpectraBase Compound ID 1pBihw4Wnlj
InChI InChI=1S/C18H21N7O2/c1-13-9-14(2)25(23-13)8-7-20-17(26)18(27)22-16-5-3-15(4-6-16)10-24-12-19-11-21-24/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,20,26)(H,22,27)
InChIKey VTAPCKYDHNYIJT-UHFFFAOYSA-N
Mol Weight 367.41 g/mol
Molecular Formula C18H21N7O2
Exact Mass 367.175673 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Upo80JyrB7
Name ethanediamide, N~1~-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N~2~-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-
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/C18H21N7O2/c1-13-9-14(2)25(23-13)8-7-20-17(26)18(27)22-16-5-3-15(4-6-16)10-24-12-19-11-21-24/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,20,26)(H,22,27)
InChIKey VTAPCKYDHNYIJT-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10752
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: F38309; Labnumber: NNA-V-30474
Temperature 315 °C