SpectraBase Compound ID | 7nBoxYxKDdw |
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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 |
SpectraBase Spectrum ID | LXchACtlj5x |
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Name | Aminomalononitrile p-toluenesulfonate |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 221147 |
CAS Registry Number | 5098-14-6 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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 |
Observed nucleus | 13C |
Purity | 98% |
Solvent | CDCl3 & DMSO-d6 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Wiley ID | SIAL_13CNMR_003272 |