![Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methyl-](/api/spectrum/G1UgP1h9yrp/structure.png?h=300&w=458 "Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methyl-")
| SpectraBase Compound ID | DWHgoJUUTaH |
|---|---|
| InChI | InChI=1S/C27H27NO6/c1-5-28(6-2)20-9-7-17(8-10-20)23(18-11-15(3)24(29)21(13-18)26(31)32)19-12-16(4)25(30)22(14-19)27(33)34/h7-14,29H,5-6H2,1-4H3,(H,31,32)(H,33,34)/b23-19+ |
| InChIKey | MHXLUBGHVIPIGK-FCDQGJHFSA-N |
| Mol Weight | 461.51 g/mol |
| Molecular Formula | C27H27NO6 |
| Exact Mass | 461.183838 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | G1UgP1h9yrp |
|---|---|
| Name | Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methyl- |
| CAS Registry Number | 7452-51-9 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C27H27NO6 |
| InChI | InChI=1S/C27H27NO6/c1-5-28(6-2)20-9-7-17(8-10-20)23(18-11-15(3)24(29)21(13-18)26(31)32)19-12-16(4)25(30)22(14-19)27(33)34/h7-14,29H,5-6H2,1-4H3,(H,31,32)(H,33,34)/b23-19+ |
| InChIKey | MHXLUBGHVIPIGK-FCDQGJHFSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |