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1-{5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}ethanone
SpectraBase Compound ID 2wtD3A4ujkV
InChI InChI=1S/C12H9F3N4O3/c1-6-11(7(2)20)16-17-18(6)9-4-3-8(12(13,14)15)5-10(9)19(21)22/h3-5H,1-2H3
InChIKey JFSIHBOMARSEMY-UHFFFAOYSA-N
Mol Weight 314.22 g/mol
Molecular Formula C12H9F3N4O3
Exact Mass 314.062675 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8c0QC0RudPd
Name 1-{5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}ethanone
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/C12H9F3N4O3/c1-6-11(7(2)20)16-17-18(6)9-4-3-8(12(13,14)15)5-10(9)19(21)22/h3-5H,1-2H3
InChIKey JFSIHBOMARSEMY-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_141
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: NMR/8266429; Labnumber: VUR-0003500; IOH_ID: IOH-000142
Temperature 297 °C