| SpectraBase Compound ID | BvxhgyrppN9 |
|---|---|
| InChI | InChI=1S/C23H18O9S.3Na/c1-11-7-13(9-16(20(11)24)22(26)27)19(15-5-3-4-6-18(15)33(30,31)32)14-8-12(2)21(25)17(10-14)23(28)29;;;/h3-10,24H,1-2H3,(H,26,27)(H,28,29)(H,30,31,32);;;/q;3*+1/p-3/b19-14-;;; |
| InChIKey | FFUMCSDSJNSMQH-LXGUGECZSA-K |
| Mol Weight | 536.39330785 g/mol |
| Molecular Formula | C23H15Na3O9S |
| Exact Mass | 536.012986 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | Bzco8qMdBLe |
|---|---|
| Name | Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2-sulfophenyl)methyl]-2-hydroxy-3-methyl-, trisodium salt |
| CAS Registry Number | 78301-23-2 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C23H15Na3O9S |
| InChI | InChI=1S/C23H18O9S.3Na/c1-11-7-13(9-16(20(11)24)22(26)27)19(15-5-3-4-6-18(15)33(30,31)32)14-8-12(2)21(25)17(10-14)23(28)29;;;/h3-10,24H,1-2H3,(H,26,27)(H,28,29)(H,30,31,32);;;/q;3*+1/p-3/b19-14-;;; |
| InChIKey | FFUMCSDSJNSMQH-LXGUGECZSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |