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Aminomalononitrile p-toluenesulfonate

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

Aminomalononitrile p-toluenesulfonate
SpectraBase Compound ID 7nBoxYxKDdw
InChI InChI=1S/C7H8O3S.C3H3N3/c1-6-2-4-7(5-3-6)11(8,9)10;4-1-3(6)2-5/h2-5H,1H3,(H,8,9,10);3H,6H2
InChIKey MEUWQVWJLLBVQI-UHFFFAOYSA-N
Mol Weight 253.28 g/mol
Molecular Formula C10H11N3O3S
Exact Mass 253.052112 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 1HJ3Huzj2l1
Name Aminomalononitrile p-toluenesulfonate
Source of Sample Aldrich
Catalog Number 221147
CAS Registry Number 5098-14-6
Classification Aromatic sulfur-oxygen compounds
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11N3O3S
InChI InChI=1S/C7H8O3S.C3H3N3/c1-6-2-4-7(5-3-6)11(8,9)10;4-1-3(6)2-5/h2-5H,1H3,(H,8,9,10);3H,6H2
InChIKey MEUWQVWJLLBVQI-UHFFFAOYSA-N
Purity 98%
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Mull
Wiley ID SIAL_FTIR_1_3596