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1-(2,3,6-trifluoro-5-methylbenzoyl)-1H-1,2,4-triazole

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1-(2,3,6-trifluoro-5-methylbenzoyl)-1H-1,2,4-triazole
SpectraBase Compound ID 2VrJtejzS3U
InChI InChI=1S/C10H6F3N3O/c1-5-2-6(11)9(13)7(8(5)12)10(17)16-4-14-3-15-16/h2-4H,1H3
InChIKey NKBYRAUJGWKJKW-UHFFFAOYSA-N
Mol Weight 241.17 g/mol
Molecular Formula C10H6F3N3O
Exact Mass 241.046296 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7gNoIHeDp64
Name 1-(2,3,6-trifluoro-5-methylbenzoyl)-1H-1,2,4-triazole
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/C10H6F3N3O/c1-5-2-6(11)9(13)7(8(5)12)10(17)16-4-14-3-15-16/h2-4H,1H3
InChIKey NKBYRAUJGWKJKW-UHFFFAOYSA-N
NMR Offset 16.579
NMR Spectrometer Frequency 250.133
Observed nucleus 1H
Origin 1H_ASIOH_7000_4389
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: NMR/8266004; Labnumber: L-05,Kirsanova; IOH_ID: IOH-004390
Temperature 297 °C