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2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide

View entire compound with spectra: 1 NMR

2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
SpectraBase Compound ID 5O0F9TZ1vs1
InChI InChI=1S/C18H20N8O5S/c1-11-17(26(30)31)12(2)24(22-11)9-8-15-20-21-18(23(15)3)32-10-16(27)19-13-4-6-14(7-5-13)25(28)29/h4-7H,8-10H2,1-3H3,(H,19,27)
InChIKey MIGIVIYZIXZEIE-UHFFFAOYSA-N
Mol Weight 460.47 g/mol
Molecular Formula C18H20N8O5S
Exact Mass 460.127737 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GwKqLdMuX3h
Name 2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)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/C18H20N8O5S/c1-11-17(26(30)31)12(2)24(22-11)9-8-15-20-21-18(23(15)3)32-10-16(27)19-13-4-6-14(7-5-13)25(28)29/h4-7H,8-10H2,1-3H3,(H,19,27)
InChIKey MIGIVIYZIXZEIE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6833
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/1265427; Labnumber: COL3565; UZI_ID: UZI-006835
Temperature 318 °C