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1-(2-Mesitylenesulfonyl)-3-nitro-1H-1,2,4-triazole

View entire compound with spectra: 1 NMR, 4 FTIR, and 2 Raman

1-(2-Mesitylenesulfonyl)-3-nitro-1H-1,2,4-triazole
SpectraBase Compound ID 11XAnDr3hbd
InChI InChI=1S/C11H12N4O4S/c1-7-4-8(2)10(9(3)5-7)20(18,19)14-6-12-11(13-14)15(16)17/h4-6H,1-3H3
InChIKey SFYDWLYPIXHPML-UHFFFAOYSA-N
Mol Weight 296.3 g/mol
Molecular Formula C11H12N4O4S
Exact Mass 296.057926 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7NWWeC7Zx26
Name 1-(2-Mesitylenesulfonyl)-3-nitro-1H-1,2,4-triazole
Source of Sample Sigma-Aldrich
Catalog Number 241784
CAS Registry Number 74257-00-4
Classification 5-membered aromatic heterocycles
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N4O4S
InChI InChI=1S/C11H12N4O4S/c1-7-4-8(2)10(9(3)5-7)20(18,19)14-6-12-11(13-14)15(16)17/h4-6H,1-3H3
InChIKey SFYDWLYPIXHPML-UHFFFAOYSA-N
Purity 98%
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (2,4,6-Trimethylphenyl)-(3-nitro-1,2,4-triazol-1-yl) sulfone MSNT
Technique Mull
Wiley ID SIAL_FTIR_1_4384