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1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole

View entire compound with spectra: 1 FTIR, and 1 Raman

1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole
SpectraBase Compound ID Glxs0mzHgYI
InChI InChI=1S/C9H8N4O4S/c1-7-2-4-8(5-3-7)18(16,17)12-6-10-9(11-12)13(14)15/h2-6H,1H3
InChIKey ZQMJAWSQRGYFBM-UHFFFAOYSA-N
Mol Weight 268.25 g/mol
Molecular Formula C9H8N4O4S
Exact Mass 268.026626 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 7deF8Jyujwq
Name 1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole
Catalog Number 244171
Brand ALDRICH
CAS Registry Number 77451-51-5
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N4O4S
Formula (reported) C9H8N4O4S
InChI InChI=1S/C9H8N4O4S/c1-7-2-4-8(5-3-7)18(16,17)12-6-10-9(11-12)13(14)15/h2-6H,1H3
InChIKey ZQMJAWSQRGYFBM-UHFFFAOYSA-N
Purity 98%
Wiley ID SIAL_RAMAN_006001