| SpectraBase Compound ID | DhzXhAVxqv7 |
|---|---|
| InChI | InChI=1S/C22H19N5O10S.2Na/c1-10-5-16(26-23-12-4-11(2)20(28)14(6-12)22(30)31)18(37-3)9-15(10)25-24-13-7-17(27(32)33)21(29)19(8-13)38(34,35)36;;/h4-9,28-29H,1-3H3,(H,30,31)(H,34,35,36);;/q;2*+1/p-2/b25-24+,26-23+;; |
| InChIKey | ZFHMTCTUYNYNNT-PDDFTXPSSA-L |
| Mol Weight | 589.44253856 g/mol |
| Molecular Formula | C22H17N5Na2O10S |
| Exact Mass | 589.049151 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 9LwIujXVQEm |
|---|---|
| Name | 4-Amino-6-nitro-1-phenol-2-sulfonic acid->Benzoic acid, 2-hydroxy-5-[[4-[(4-hydroxy-3-nitro-5-cresidine->2,3-cresotin acid |
| CAS Registry Number | 6406-38-8 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C22H17N5Na2O10S |
| InChI | InChI=1S/C22H19N5O10S.2Na/c1-10-5-16(26-23-12-4-11(2)20(28)14(6-12)22(30)31)18(37-3)9-15(10)25-24-13-7-17(27(32)33)21(29)19(8-13)38(34,35)36;;/h4-9,28-29H,1-3H3,(H,30,31)(H,34,35,36);;/q;2*+1/p-2/b25-24+,26-23+;; |
| InChIKey | ZFHMTCTUYNYNNT-PDDFTXPSSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |