![Benzoic acid, 5-[bis[3-methyl-4-[(2-sulfoethyl)amino]phenyl]Methyl]-2-hydroxy-3-methyl-, disodium salt](/api/spectrum/FuXeEDUd9wc/structure.png?h=300&w=458 "Benzoic acid, 5-[bis[3-methyl-4-[(2-sulfoethyl)amino]phenyl]Methyl]-2-hydroxy-3-methyl-, disodium salt")
| SpectraBase Compound ID | 4MujaUsjocd |
|---|---|
| InChI | InChI=1S/C27H32N2O9S2.2Na/c1-16-12-19(4-6-23(16)28-8-10-39(33,34)35)25(21-14-18(3)26(30)22(15-21)27(31)32)20-5-7-24(17(2)13-20)29-9-11-40(36,37)38;;/h4-7,12-15,25,28-30H,8-11H2,1-3H3,(H,31,32)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2 |
| InChIKey | OLWJHXLKARLQEH-UHFFFAOYSA-L |
| Mol Weight | 636.64153856 g/mol |
| Molecular Formula | C27H30N2Na2O9S2 |
| Exact Mass | 636.118811 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | FuXeEDUd9wc |
|---|---|
| Name | Benzoic acid, 5-[bis[3-methyl-4-[(2-sulfoethyl)amino]phenyl]Methyl]-2-hydroxy-3-methyl-, disodium salt |
| CAS Registry Number | 10142-81-1 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C27H30N2Na2O9S2 |
| InChI | InChI=1S/C27H32N2O9S2.2Na/c1-16-12-19(4-6-23(16)28-8-10-39(33,34)35)25(21-14-18(3)26(30)22(15-21)27(31)32)20-5-7-24(17(2)13-20)29-9-11-40(36,37)38;;/h4-7,12-15,25,28-30H,8-11H2,1-3H3,(H,31,32)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2 |
| InChIKey | OLWJHXLKARLQEH-UHFFFAOYSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |