| SpectraBase Compound ID | 21igPAJCWVF |
|---|---|
| InChI | InChI=1S/C6H12N6O6S3/c13-19(14)7-1-8-3-9(2-7)21(17,18)12-5-10(19)4-11(6-12)20(8,15)16/h1-6H2 |
| InChIKey | LGWYCBACZCXWJN-UHFFFAOYSA-N |
| Mol Weight | 360.38 g/mol |
| Molecular Formula | C6H12N6O6S3 |
| Exact Mass | 359.998046 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4y1iaC1cKJS |
|---|---|
| Name | Hexamethylene-(trisulfohexamine) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H12N6O6S3 |
| InChI | InChI=1S/C6H12N6O6S3/c13-19(14)7-1-8-3-9(2-7)21(17,18)12-5-10(19)4-11(6-12)20(8,15)16/h1-6H2 |
| InChIKey | LGWYCBACZCXWJN-UHFFFAOYSA-N |
| Molecular Weight | 360.378 g/mol |
| SMILES | C1N2S(N3CN4S(N1CN(S(N(C3)C4)(=O)=O)C2)(=O)=O)(=O)=O |
| SPLASH | splash10-0707-9522000000-b13171b01323bb7d1977 |
| Source of Spectrum | CRT-4-163-HEXS |
| Wiley ID | 1709202 |