![5-Phenyl-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)benzoxazolium hydroxide inner salt, sodium salt](/api/spectrum/K0JXJIGNmY5/structure.png?h=300&w=458 "5-Phenyl-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)benzoxazolium hydroxide inner salt, sodium salt")
| SpectraBase Compound ID | CN2njSpM4v1 |
|---|---|
| InChI | InChI=1S/C37H36N2O8S2.Na/c1-2-27(23-36-38(19-9-21-48(40,41)42)32-25-30(15-17-34(32)46-36)28-11-5-3-6-12-28)24-37-39(20-10-22-49(43,44)45)33-26-31(16-18-35(33)47-37)29-13-7-4-8-14-29;/h3-8,11-18,23-26H,2,9-10,19-22H2,1H3,(H-,40,41,42,43,44,45);/q;+1/p-1 |
| InChIKey | MDBAEQGNAMHPTI-UHFFFAOYSA-M |
| Mol Weight | 722.80276928 g/mol |
| Molecular Formula | C37H35N2NaO8S2 |
| Exact Mass | 722.173253 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | K0JXJIGNmY5 |
|---|---|
| Name | 5-Phenyl-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)benzoxazolium hydroxide inner salt, sodium salt |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 386197 |
| CAS Registry Number | 33628-03-4 |
| Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H35N2NaO8S2 |
| InChI | 1S/C37H36N2O8S2.Na/c1-2-27(23-36-38(19-9-21-48(40,41)42)32-25-30(15-17-34(32)46-36)28-11-5-3-6-12-28)24-37-39(20-10-22-49(43,44)45)33-26-31(16-18-35(33)47-37)29-13-7-4-8-14-29;/h3-8,11-18,23-26H,2,9-10,19-22H2,1H3,(H-,40,41,42,43,44,45);/q;+1/p-1 |
| InChIKey | MDBAEQGNAMHPTI-UHFFFAOYSA-M |
| Observed nucleus | 13C |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_13CNMR_008413 |