![5-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]-2-(2-{4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}vinyl)benzenesulfonic acid](/api/spectrum/12Bza1L86b0/structure.png?h=300&w=458 "5-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]-2-(2-{4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}vinyl)benzenesulfonic acid")
| SpectraBase Compound ID | GZ7N7Xk6Frr |
|---|---|
| InChI | InChI=1S/C20H20N12O6S2/c21-15-27-16(22)30-19(29-15)25-11-5-3-9(13(7-11)39(33,34)35)1-2-10-4-6-12(8-14(10)40(36,37)38)26-20-31-17(23)28-18(24)32-20/h1-8H,(H,33,34,35)(H,36,37,38)(H5,21,22,25,27,29,30)(H5,23,24,26,28,31,32)/b2-1- |
| InChIKey | PHXYKRIGWBYQSI-UPHRSURJSA-N |
| Mol Weight | 588.58 g/mol |
| Molecular Formula | C20H20N12O6S2 |
| Exact Mass | 588.107019 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 12Bza1L86b0 |
|---|---|
| Name | 5-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]-2-(2-{4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}vinyl)benzenesulfonic acid |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C20H20N12O6S2 |
| InChI | InChI=1S/C20H20N12O6S2/c21-15-27-16(22)30-19(29-15)25-11-5-3-9(13(7-11)39(33,34)35)1-2-10-4-6-12(8-14(10)40(36,37)38)26-20-31-17(23)28-18(24)32-20/h1-8H,(H,33,34,35)(H,36,37,38)(H5,21,22,25,27,29,30)(H5,23,24,26,28,31,32)/b2-1- |
| InChIKey | PHXYKRIGWBYQSI-UPHRSURJSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |