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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-(3-nitrophenyl)acetamide

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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-(3-nitrophenyl)acetamide
SpectraBase Compound ID 5tbP2nftiEh
InChI InChI=1S/C18H20N8O5S/c1-11-17(26(30)31)12(2)24(22-11)8-7-15-20-21-18(23(15)3)32-10-16(27)19-13-5-4-6-14(9-13)25(28)29/h4-6,9H,7-8,10H2,1-3H3,(H,19,27)
InChIKey MXUWHTUPIYPFJG-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 EqweL5LwqBo
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-(3-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)8-7-15-20-21-18(23(15)3)32-10-16(27)19-13-5-4-6-14(9-13)25(28)29/h4-6,9H,7-8,10H2,1-3H3,(H,19,27)
InChIKey MXUWHTUPIYPFJG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6781
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/1266750; Labnumber: COL3416; UZI_ID: UZI-006783
Temperature 318 °C