![Benzoic acid, 5-[[5-[(3-carboxy-4-hydroxy-5-methylphenyl)azo]-2-chlorophenyl](3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-hydroxy-3-methyl-](/api/spectrum/9Qsd4IZJHsx/structure.png?h=300&w=458 "Benzoic acid, 5-[[5-[(3-carboxy-4-hydroxy-5-methylphenyl)azo]-2-chlorophenyl](3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-hydroxy-3-methyl-")
| SpectraBase Compound ID | tYgdKfIMNf |
|---|---|
| InChI | InChI=1S/C31H23ClN2O9/c1-13-6-16(9-21(26(13)35)29(38)39)25(17-7-14(2)27(36)22(10-17)30(40)41)20-11-18(4-5-24(20)32)33-34-19-8-15(3)28(37)23(12-19)31(42)43/h4-12,35,37H,1-3H3,(H,38,39)(H,40,41)(H,42,43)/b25-17-,34-33+ |
| InChIKey | UNQRIMBFQXBHTR-JCBIIRKUSA-N |
| Mol Weight | 602.98 g/mol |
| Molecular Formula | C31H23ClN2O9 |
| Exact Mass | 602.109208 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 9Qsd4IZJHsx |
|---|---|
| Name | Benzoic acid, 5-[[5-[(3-carboxy-4-hydroxy-5-methylphenyl)azo]-2-chlorophenyl](3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-hydroxy-3-methyl- |
| CAS Registry Number | 10169-08-1 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H23ClN2O9 |
| InChI | InChI=1S/C31H23ClN2O9/c1-13-6-16(9-21(26(13)35)29(38)39)25(17-7-14(2)27(36)22(10-17)30(40)41)20-11-18(4-5-24(20)32)33-34-19-8-15(3)28(37)23(12-19)31(42)43/h4-12,35,37H,1-3H3,(H,38,39)(H,40,41)(H,42,43)/b25-17-,34-33+ |
| InChIKey | UNQRIMBFQXBHTR-JCBIIRKUSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |