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N-(1,3-benzodioxol-5-yl)-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID HWhcVzumetA
InChI InChI=1S/C18H20N6O3S/c1-4-24-17(13-7-11(2)23(3)22-13)20-21-18(24)28-9-16(25)19-12-5-6-14-15(8-12)27-10-26-14/h5-8H,4,9-10H2,1-3H3,(H,19,25)
InChIKey NYKHZHVGMGGNJK-UHFFFAOYSA-N
Mol Weight 400.46 g/mol
Molecular Formula C18H20N6O3S
Exact Mass 400.13176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8rGSS8PNqWU
Name N-(1,3-benzodioxol-5-yl)-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}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/C18H20N6O3S/c1-4-24-17(13-7-11(2)23(3)22-13)20-21-18(24)28-9-16(25)19-12-5-6-14-15(8-12)27-10-26-14/h5-8H,4,9-10H2,1-3H3,(H,19,25)
InChIKey NYKHZHVGMGGNJK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10607
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: UZI/1263006; Labnumber: KUZ0469; UZI_ID: UZI-010609
Temperature 308 °C