| SpectraBase Compound ID | HcEDZz2xWDq |
|---|---|
| InChI | InChI=1S/C33H44N2O9S2.3Na/c1-4-6-16-34(18-20-45(39,40)41)28-12-8-25(9-13-28)31(27-22-24(3)32(36)30(23-27)33(37)38)26-10-14-29(15-11-26)35(17-7-5-2)19-21-46(42,43)44;;;/h8-15,22-23,31,36H,4-7,16-21H2,1-3H3,(H,37,38)(H,39,40,41)(H,42,43,44);;;/q;3*+1/p-3 |
| InChIKey | QTHOAHOJYKKWHE-UHFFFAOYSA-K |
| Mol Weight | 742.78530785 g/mol |
| Molecular Formula | C33H41N2Na3O9S2 |
| Exact Mass | 742.194656 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 4PNhmhe1QcK |
|---|---|
| Name | Bis(p-N-butyl-N-taurylamino)-3'-carboxy-4'-hydroxy-5'-methyl-triphenylmethane |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C33H41N2Na3O9S2 |
| InChI | InChI=1S/C33H44N2O9S2.3Na/c1-4-6-16-34(18-20-45(39,40)41)28-12-8-25(9-13-28)31(27-22-24(3)32(36)30(23-27)33(37)38)26-10-14-29(15-11-26)35(17-7-5-2)19-21-46(42,43)44;;;/h8-15,22-23,31,36H,4-7,16-21H2,1-3H3,(H,37,38)(H,39,40,41)(H,42,43,44);;;/q;3*+1/p-3 |
| InChIKey | QTHOAHOJYKKWHE-UHFFFAOYSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |