| SpectraBase Compound ID | JKlg2N2NSsY |
|---|---|
| InChI | InChI=1S/C45H32N10O21S6.6Na/c56-43-33-13-5-27(17-23(33)19-39(81(71,72)73)41(43)54-52-35-15-7-29(21-37(35)79(65,66)67)50-48-25-1-9-31(10-2-25)77(59,60)61)46-45(58)47-28-6-14-34-24(18-28)20-40(82(74,75)76)42(44(34)57)55-53-36-16-8-30(22-38(36)80(68,69)70)51-49-26-3-11-32(12-4-26)78(62,63)64;;;;;;/h1-22,56-57H,(H2,46,47,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;;;/q;6*+1/p-6/b50-48+,51-49+,54-52+,55-53+;;;;;; |
| InChIKey | YIQKLZYTHXTDDT-IJPLDVMMSA-H |
| Mol Weight | 1373.05061569 g/mol |
| Molecular Formula | C45H26N10Na6O21S6 |
| Exact Mass | 1371.898441 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | IBc9GkhbzBf |
|---|---|
| Name | Direct Red 80 |
| Source of Sample | Alfa Aesar, Thermo Fisher Scientific |
| Catalog Number | B21693 |
| Lot Number | 10188417 |
| CAS Registry Number | 2610-10-8 |
| Copyright | Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C45H26N10Na6O21S6 |
| InChI | InChI=1S/C45H32N10O21S6.6Na/c56-43-33-13-5-27(17-23(33)19-39(81(71,72)73)41(43)54-52-35-15-7-29(21-37(35)79(65,66)67)50-48-25-1-9-31(10-2-25)77(59,60)61)46-45(58)47-28-6-14-34-24(18-28)20-40(82(74,75)76)42(44(34)57)55-53-36-16-8-30(22-38(36)80(68,69)70)51-49-26-3-11-32(12-4-26)78(62,63)64;;;;;;/h1-22,56-57H,(H2,46,47,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;;;/q;6*+1/p-6/b50-48+,51-49+,54-52+,55-53+;;;;;; |
| InChIKey | YIQKLZYTHXTDDT-IJPLDVMMSA-H |
| Instrument Name | Bruker Tensor 27 FT-IR |
| Molecular Weight | 1373.051 g/mol |
| Sample Type | Organic |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Technique | ATR-Neat (DuraSamplIR II) |