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2-[(4-nitro-1H-pyrazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyrimidine
SpectraBase Compound ID 53CLcHmWvvs
InChI InChI=1S/C8H4F3N5O2S/c9-8(10,11)5-1-2-12-7(14-5)19-6-4(16(17)18)3-13-15-6/h1-3H,(H,13,15)
InChIKey DMSDCPVLFANOLT-UHFFFAOYSA-N
Mol Weight 291.21 g/mol
Molecular Formula C8H4F3N5O2S
Exact Mass 291.00378 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2Bm7tuvlnu8
Name 2-[(4-nitro-1H-pyrazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyrimidine
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/C8H4F3N5O2S/c9-8(10,11)5-1-2-12-7(14-5)19-6-4(16(17)18)3-13-15-6/h1-3H,(H,13,15)
InChIKey DMSDCPVLFANOLT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31861
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: 1843459; SBI_ID: SBI-031865
Synonyms 4-nitro-1H-pyrazol-5-yl 4-(trifluoromethyl)-2-pyrimidinyl sulfide
Temperature 318 °C