| SpectraBase Compound ID | 9AsdvugF23R |
|---|---|
| InChI | InChI=1S/C38H26Cl2N8O11S3.3Na/c39-22-6-12-27(40)28(16-22)45-46-34-29(60(51,52)53)14-21-15-31(62(57,58)59)36(38(50)32(21)33(34)42)48-44-25-10-4-19(5-11-25)18-2-8-24(9-3-18)43-47-35-30(61(54,55)56)13-20-1-7-23(41)17-26(20)37(35)49;;;/h1-17,49-50H,41-42H2,(H,51,52,53)(H,54,55,56)(H,57,58,59);;;/q;3*+1/p-3/b46-45-,47-43-,48-44-;;; |
| InChIKey | KLBVBPWWCWJZDJ-XCNIZSMVSA-K |
| Mol Weight | 1003.70230785 g/mol |
| Molecular Formula | C38H23Cl2N8Na3O11S3 |
| Exact Mass | 1001.971855 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | DHO9oGFSqql |
|---|---|
| Name | C.I.Direct Blue 51, trisodium salt |
| CAS Registry Number | 6360-65-2 |
| Copyright | Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C38H23Cl2N8Na3O11S3 |
| InChI | InChI=1S/C38H26Cl2N8O11S3.3Na/c39-22-6-12-27(40)28(16-22)45-46-34-29(60(51,52)53)14-21-15-31(62(57,58)59)36(38(50)32(21)33(34)42)48-44-25-10-4-19(5-11-25)18-2-8-24(9-3-18)43-47-35-30(61(54,55)56)13-20-1-7-23(41)17-26(20)37(35)49;;;/h1-17,49-50H,41-42H2,(H,51,52,53)(H,54,55,56)(H,57,58,59);;;/q;3*+1/p-3/b46-45-,47-43-,48-44-;;; |
| InChIKey | KLBVBPWWCWJZDJ-XCNIZSMVSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |