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2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
SpectraBase Compound ID Hyxs5eivo9c
InChI InChI=1S/C17H18N8O5S/c1-2-23-15(7-8-22-10-14(9-18-22)25(29)30)20-21-17(23)31-11-16(26)19-12-3-5-13(6-4-12)24(27)28/h3-6,9-10H,2,7-8,11H2,1H3,(H,19,26)
InChIKey OBQVLKJWIOAKLQ-UHFFFAOYSA-N
Mol Weight 446.44 g/mol
Molecular Formula C17H18N8O5S
Exact Mass 446.112087 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J3vkufUhzPH
Name 2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-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/C17H18N8O5S/c1-2-23-15(7-8-22-10-14(9-18-22)25(29)30)20-21-17(23)31-11-16(26)19-12-3-5-13(6-4-12)24(27)28/h3-6,9-10H,2,7-8,11H2,1H3,(H,19,26)
InChIKey OBQVLKJWIOAKLQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6880
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent ACETONE-d6
Source File Reference VendorID: UZI/1266554; Labnumber: COL3644; UZI_ID: UZI-006882
Temperature 318 °C