| SpectraBase Compound ID | FjndhzkBcue |
|---|---|
| InChI | InChI=1S/C35H28N6O13S4.4Na/c1-19-13-21(9-11-29(19)40-38-23-15-27-25(33(17-23)57(49,50)51)5-3-7-31(27)55(43,44)45)36-35(42)37-22-10-12-30(20(2)14-22)41-39-24-16-28-26(34(18-24)58(52,53)54)6-4-8-32(28)56(46,47)48;;;;/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b40-38+,41-39+;;;; |
| InChIKey | XRFRTDKENRGSSX-RRJGSHPESA-J |
| Mol Weight | 956.80507713 g/mol |
| Molecular Formula | C35H24N6Na4O13S4 |
| Exact Mass | 955.987497 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | GQvedPJeRVJ |
|---|---|
| Name | Direct Yellow 50 |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 201898 |
| CAS Registry Number | 3214-47-9 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H24N6Na4O13S4 |
| InChI | InChI=1S/C35H28N6O13S4.4Na/c1-19-13-21(9-11-29(19)40-38-23-15-27-25(33(17-23)57(49,50)51)5-3-7-31(27)55(43,44)45)36-35(42)37-22-10-12-30(20(2)14-22)41-39-24-16-28-26(34(18-24)58(52,53)54)6-4-8-32(28)56(46,47)48;;;;/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b40-38+,41-39+;;;; |
| InChIKey | XRFRTDKENRGSSX-RRJGSHPESA-J |
| Observed nucleus | 1H |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_1HNMR_002882 |