| SpectraBase Compound ID | JwpZ4rQWA7 |
|---|---|
| InChI | InChI=1S/C37H36N2O9S3.H3N.Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);1H3;/q;;+1/p-1 |
| InChIKey | IVXMOIODCRQOFQ-UHFFFAOYSA-M |
| Mol Weight | 787.89 g/mol |
| Molecular Formula | C37H38N3NaO9S3 |
| Exact Mass | 787.166788 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | K1CF3B5C4lG |
|---|---|
| Name | C. I. ACID BLUE 9 |
| Source of Sample | Fluka Chemie AG, Buchs, Switzerland |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H38N3NaO9S3 |
| InChI | InChI=1S/C37H36N2O9S3.H3N.Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);1H3;/q;;+1/p-1 |
| InChIKey | IVXMOIODCRQOFQ-UHFFFAOYSA-M |
| Molecular Weight | 787.893190 |
| Synonyms | C.I. ACID BLUE 9 ERIOGLAUCINE A AMMONIUM HYDROXIDE, ETHYL/4-/P- /ETHYL/M-SULFOBENZYL/AMINO/-A-/O-SULFO- PHENYL/BENZYLIDENE/-2,5-CYCLOHEXADIEN- 1-YLIDENE//M-SULFOBENZYL/-, INNER SALT AMMONIUM SODIUM SALT |
| Technique | KBr WAFER |