![Benzoic acid, 3-[(3-carboxy-4-hydroxy-5-methylphenyl)(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-6-hydroxy-2,4-dimethyl-](/api/spectrum/66IphkWbh2E/structure.png?h=300&w=458 "Benzoic acid, 3-[(3-carboxy-4-hydroxy-5-methylphenyl)(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-6-hydroxy-2,4-dimethyl-")
| SpectraBase Compound ID | 7p0XoUSsyNs |
|---|---|
| InChI | InChI=1S/C26H22O9/c1-10-7-18(27)20(26(34)35)13(4)19(10)21(14-5-11(2)22(28)16(8-14)24(30)31)15-6-12(3)23(29)17(9-15)25(32)33/h5-9,27-28H,1-4H3,(H,30,31)(H,32,33)(H,34,35)/b21-15- |
| InChIKey | XDZDZEALAOMVJY-QNGOZBTKSA-N |
| Mol Weight | 478.45 g/mol |
| Molecular Formula | C26H22O9 |
| Exact Mass | 478.126382 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 66IphkWbh2E |
|---|---|
| Name | Benzoic acid, 3-[(3-carboxy-4-hydroxy-5-methylphenyl)(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-6-hydroxy-2,4-dimethyl- |
| CAS Registry Number | 2305-53-5 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C26H22O9 |
| InChI | InChI=1S/C26H22O9/c1-10-7-18(27)20(26(34)35)13(4)19(10)21(14-5-11(2)22(28)16(8-14)24(30)31)15-6-12(3)23(29)17(9-15)25(32)33/h5-9,27-28H,1-4H3,(H,30,31)(H,32,33)(H,34,35)/b21-15- |
| InChIKey | XDZDZEALAOMVJY-QNGOZBTKSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |