| SpectraBase Compound ID | KSmVmW1Y5ey |
|---|---|
| InChI | InChI=1S/C34H28N6O6S2.2Na/c1-19-15-21(11-13-27(19)37-39-29-17-31(47(41,42)43)23-7-3-5-9-25(23)33(29)35)22-12-14-28(20(2)16-22)38-40-30-18-32(48(44,45)46)24-8-4-6-10-26(24)34(30)36;;/h3-18H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2/b39-37+,40-38+;; |
| InChIKey | SUXCALIDMIIJCK-DVDDBBOFSA-L |
| Mol Weight | 724.71753856 g/mol |
| Molecular Formula | C34H26N6Na2O6S2 |
| Exact Mass | 724.115063 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JL88SrATBmX |
|---|---|
| Name | Benzopurpurin 4B |
| Catalog Number | 228826 |
| Brand | SIAL |
| CAS Registry Number | 992-59-6 |
| Copyright | Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H26N6Na2O6S2 |
| Formula (reported) | C34H26N6Na2O6S2 |
| InChI | InChI=1S/C34H28N6O6S2.2Na/c1-19-15-21(11-13-27(19)37-39-29-17-31(47(41,42)43)23-7-3-5-9-25(23)33(29)35)22-12-14-28(20(2)16-22)38-40-30-18-32(48(44,45)46)24-8-4-6-10-26(24)34(30)36;;/h3-18H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2/b39-37+,40-38+;; |
| InChIKey | SUXCALIDMIIJCK-DVDDBBOFSA-L |
| Wiley ID | SIAL_RAMAN_005315 |