| SpectraBase Compound ID | Ey2BhfZbW7Y |
|---|---|
| InChI | InChI=1S/C31H24N8O9S2.3Na/c32-24-15-25(33)28(39-37-26-11-10-22(49(43,44)45)14-30(26)50(46,47)48)16-27(24)38-35-20-7-3-18(4-8-20)17-1-5-19(6-2-17)34-36-21-9-12-29(40)23(13-21)31(41)42;;;/h1-16,40H,32-33H2,(H,41,42)(H,43,44,45)(H,46,47,48);;;/q;3*+1/p-3/b36-34+,38-35+,39-37-;;; |
| InChIKey | GSZCBUINRPTBEY-RWZPDLRBSA-K |
| Mol Weight | 782.64530785 g/mol |
| Molecular Formula | C31H21N8Na3O9S2 |
| Exact Mass | 782.056599 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | Briu4KFfVve |
|---|---|
| Name | C.I.Direct Brown 79, trisodium salt |
| CAS Registry Number | 6483-77-8 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H21N8Na3O9S2 |
| InChI | InChI=1S/C31H24N8O9S2.3Na/c32-24-15-25(33)28(39-37-26-11-10-22(49(43,44)45)14-30(26)50(46,47)48)16-27(24)38-35-20-7-3-18(4-8-20)17-1-5-19(6-2-17)34-36-21-9-12-29(40)23(13-21)31(41)42;;;/h1-16,40H,32-33H2,(H,41,42)(H,43,44,45)(H,46,47,48);;;/q;3*+1/p-3/b36-34+,38-35+,39-37-;;; |
| InChIKey | GSZCBUINRPTBEY-RWZPDLRBSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |