| SpectraBase Compound ID | 4mEULbBCR6R |
|---|---|
| InChI | InChI=1S/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;; |
| InChIKey | ATNOAWAQFYGAOY-GPTZEZBUSA-J |
| Mol Weight | 960.79307713 g/mol |
| Molecular Formula | C34H24N6Na4O14S4 |
| Exact Mass | 959.982411 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fvog3HLed2C |
|---|---|
| Name | C.I. Direct Blue 53, tetrasodium salt |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H24N6Na4O14S4 |
| InChI | InChI=1S/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;; |
| InChIKey | ATNOAWAQFYGAOY-GPTZEZBUSA-J |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 41565M |
| Solvent | D2O/NaOD |