| SpectraBase Compound ID | CEOpuF3JsRB |
|---|---|
| InChI | InChI=1S/C16H14N4O8S.Cr.Na/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;;/h2-8,21-22H,1H3,(H,17,23)(H,26,27,28);;/q;+2;+1/p-3/b14-9-,19-18+;; |
| InChIKey | BXVROUWVFPOUJO-FWNUEPFWSA-K |
| Mol Weight | 494.32992928 g/mol |
| Molecular Formula | C16H11CrN4NaO8S |
| Exact Mass | 493.960034 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | KmKJInlMMKu |
|---|---|
| Name | /1:1-Cr complex-Na salt |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C16H11CrN4NaO8S |
| InChI | InChI=1S/C16H14N4O8S.Cr.Na/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;;/h2-8,21-22H,1H3,(H,17,23)(H,26,27,28);;/q;+2;+1/p-3/b14-9-,19-18+;; |
| InChIKey | BXVROUWVFPOUJO-FWNUEPFWSA-K |
| Instrument Name | Bruker IFS 85 |
| Synonyms | 6-Amino-4-nitro-1-phenol-2-sulfonic acid->acetoacetanilide |
| Technique | KBr-Pellet |