![2,9-Triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis[(4-chlorophenyl)amino]-, disodium salt](/api/spectrum/7xlYFr1aeEa/structure.png?h=300&w=458 "2,9-Triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis[(4-chlorophenyl)amino]-, disodium salt")
| SpectraBase Compound ID | KRWJliG0ldU |
|---|---|
| InChI | InChI=1S/C30H16Cl4N4O8S2.2Na/c31-13-1-5-15(6-2-13)35-19-9-21-17(11-23(19)47(39,40)41)37-27-26(34)30-28(25(33)29(27)45-21)38-18-12-24(48(42,43)44)20(10-22(18)46-30)36-16-7-3-14(32)4-8-16;;/h1-12,35-36H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2 |
| InChIKey | PNEXMXHXYFFXPG-UHFFFAOYSA-L |
| Mol Weight | 810.37353856 g/mol |
| Molecular Formula | C30H14Cl4N4Na2O8S2 |
| Exact Mass | 807.880255 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 7xlYFr1aeEa |
|---|---|
| Name | 2,9-Triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis[(4-chlorophenyl)amino]-, disodium salt |
| CAS Registry Number | 6598-58-9 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C30H14Cl4N4Na2O8S2 |
| InChI | InChI=1S/C30H16Cl4N4O8S2.2Na/c31-13-1-5-15(6-2-13)35-19-9-21-17(11-23(19)47(39,40)41)37-27-26(34)30-28(25(33)29(27)45-21)38-18-12-24(48(42,43)44)20(10-22(18)46-30)36-16-7-3-14(32)4-8-16;;/h1-12,35-36H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2 |
| InChIKey | PNEXMXHXYFFXPG-UHFFFAOYSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |