| SpectraBase Compound ID | 3QNQrxspsj9 |
|---|---|
| InChI | InChI=1S/C22H16N6O9S2.2Na/c23-19-18-12(11-17(39(35,36)37)21(22(18)29)27-24-13-4-2-1-3-5-13)10-16(38(32,33)34)20(19)26-25-14-6-8-15(9-7-14)28(30)31;;/h1-11,24H,23H2,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2/b26-25+,27-21-;; |
| InChIKey | HKBVRFLHNUEVRO-HMDKGIQMSA-L |
| Mol Weight | 616.48653856 g/mol |
| Molecular Formula | C22H14N6Na2O9S2 |
| Exact Mass | 616.005907 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | 6oQ65P8ERdB |
|---|---|
| Name | Nigrosin |
| Source of Sample | Aldrich |
| Catalog Number | 198285 |
| CAS Registry Number | 8005-03-6 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H14N6Na2O9S2 |
| InChI | InChI=1S/C22H16N6O9S2.2Na/c23-19-18-12(11-17(39(35,36)37)21(22(18)29)27-24-13-4-2-1-3-5-13)10-16(38(32,33)34)20(19)26-25-14-6-8-15(9-7-14)28(30)31;;/h1-11,24H,23H2,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2/b26-25+,27-21-;; |
| InChIKey | HKBVRFLHNUEVRO-HMDKGIQMSA-L |
| Purity | certified by the Biological Stain Commission |
| Synonyms | Acid black 2; Nigrosin water soluble |
| Wiley ID | SIAL_ATR-IR_010221 |