| SpectraBase Compound ID | ITBJVWMlMy7 |
|---|---|
| InChI | InChI=1S/C31H33ClN2O8S2.Na/c1-2-22(19-31-34(15-7-17-44(38,39)40)27-21-25(32)11-13-29(27)42-31)18-30-33(14-6-16-43(35,36)37)26-20-24(10-12-28(26)41-30)23-8-4-3-5-9-23;/h3-5,8-13,18-21,27,29H,2,6-7,14-17H2,1H3,(H-,35,36,37,38,39,40);/q;+1/p-1 |
| InChIKey | GQHLJDDFUHSPLN-UHFFFAOYSA-M |
| Mol Weight | 683.2 g/mol |
| Molecular Formula | C31H32ClN2NaO8S2 |
| Exact Mass | 682.11863 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | 8I0cnYOkOz7 |
|---|---|
| Name | 5-Chloro-9-ethyl-5'-phenyl-3,3'-bis(3-sulfopropyl)oxacarbocyanine hydroxide inner salt, sodium salt |
| Source of Sample | Aldrich |
| Catalog Number | 392596 |
| CAS Registry Number | 67326-80-1 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H32ClN2NaO8S2 |
| InChI | InChI=1S/C31H33ClN2O8S2.Na/c1-2-22(19-31-34(15-7-17-44(38,39)40)27-21-25(32)11-13-29(27)42-31)18-30-33(14-6-16-43(35,36)37)26-20-24(10-12-28(26)41-30)23-8-4-3-5-9-23;/h3-5,8-13,18-21,27,29H,2,6-7,14-17H2,1H3,(H-,35,36,37,38,39,40);/q;+1/p-1 |
| InChIKey | GQHLJDDFUHSPLN-UHFFFAOYSA-M |
| Purity | Dye content ~85% |
| Synonyms | sodium 3-[(2E)-2-[(2Z)-2-[[5-chloro-3-(3-sulfonatopropyl)-3a,4-dihydro-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-5-phenyl-1,3-benzoxazol-3-yl]propane-1-sulfonate |
| Wiley ID | SIAL_ATR-IR_018310 |