| SpectraBase Compound ID | IJFoFnCBnDA |
|---|---|
| InChI | InChI=1S/C38H47ClN2O6S2.Na/c1-37(2)30-16-5-7-18-32(30)40(24-9-11-26-48(42,43)44)34(37)22-20-28-14-13-15-29(36(28)39)21-23-35-38(3,4)31-17-6-8-19-33(31)41(35)25-10-12-27-49(45,46)47;/h5-8,16-23H,9-15,24-27H2,1-4H3,(H-,42,43,44,45,46,47);/q;+1/p-1 |
| InChIKey | QQIQAVJARACLHE-UHFFFAOYSA-M |
| Mol Weight | 749.35676928 g/mol |
| Molecular Formula | C38H46ClN2NaO6S2 |
| Exact Mass | 748.238352 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 7U78eP538bx |
|---|---|
| Name | IR-783 |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 543292 |
| Lot Number | STBB0838K9 |
| CAS Registry Number | 115970-66-6 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H46ClN2NaO6S2 |
| InChI | InChI=1S/C38H47ClN2O6S2.Na/c1-37(2)30-16-5-7-18-32(30)40(24-9-11-26-48(42,43)44)34(37)22-20-28-14-13-15-29(36(28)39)21-23-35-38(3,4)31-17-6-8-19-33(31)41(35)25-10-12-27-49(45,46)47;/h5-8,16-23H,9-15,24-27H2,1-4H3,(H-,42,43,44,45,46,47);/q;+1/p-1 |
| InChIKey | QQIQAVJARACLHE-UHFFFAOYSA-M |
| Molecular Weight | 749.357 g/mol |
| Solvent | Nujol |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | 2-[2-[2-Chloro-3-[2-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-ethylidene]-1-cyclohexen-1-yl]-ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium hydroxide, inner salt sodium salt |
| Technique | Mull |
| Wiley ID | SIAL_FF-FTIR_000044 |