![Methylium, bis[4-(diethylamino)phenyl][5-hydroxy-2,4-disulfophenyl]-, calcium salt](/api/spectrum/5AJajyypHIT/structure.png?h=300&w=458 "Methylium, bis[4-(diethylamino)phenyl][5-hydroxy-2,4-disulfophenyl]-, calcium salt")
| SpectraBase Compound ID | 48pcHf3Cker |
|---|---|
| InChI | InChI=1S/C27H32N2O7S2.Ca/c1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33;/h9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36);/q;+1/p-1 |
| InChIKey | GFRHMPYTFZQFKN-UHFFFAOYSA-M |
| Mol Weight | 599.8 g/mol |
| Molecular Formula | C27H31CaN2O7S2 |
| Exact Mass | 599.11986 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 5AJajyypHIT |
|---|---|
| Name | Methylium, bis[4-(diethylamino)phenyl][5-hydroxy-2,4-disulfophenyl]-, calcium salt |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C27H31CaN2O7S2 |
| InChI | InChI=1S/C27H32N2O7S2.Ca/c1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33;/h9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36);/q;+1/p-1 |
| InChIKey | GFRHMPYTFZQFKN-UHFFFAOYSA-M |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |