SpectraBase Compound ID | L5DlEKO6MRO |
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InChI | InChI=1S/C45H45N3O7S2.Na/c1-4-47(31-33-9-7-11-43(29-33)56(49,50)51)40-23-15-36(16-24-40)45(35-13-19-38(20-14-35)46-39-21-27-42(28-22-39)55-6-3)37-17-25-41(26-18-37)48(5-2)32-34-10-8-12-44(30-34)57(52,53)54;/h7-30H,4-6,31-32H2,1-3H3,(H2,49,50,51,52,53,54);/q;+1/p-1 |
InChIKey | NKLPQNGYXWVELD-UHFFFAOYSA-M |
Mol Weight | 825.97076928 g/mol |
Molecular Formula | C45H44N3NaO7S2 |
Exact Mass | 825.251837 g/mol |
SpectraBase Spectrum ID | 8NQYaNbHtDj |
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Name | Diethyl-di-m-sulfobenzyl-p-amino-p-(4-ethoxyanilino)-fuchsonimonium(Na salt des inn.sulfonats) |
CAS Registry Number | 106953-22-4 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C45H44N3NaO7S2 |
InChI | InChI=1S/C45H45N3O7S2.Na/c1-4-47(31-33-9-7-11-43(29-33)56(49,50)51)40-23-15-36(16-24-40)45(35-13-19-38(20-14-35)46-39-21-27-42(28-22-39)55-6-3)37-17-25-41(26-18-37)48(5-2)32-34-10-8-12-44(30-34)57(52,53)54;/h7-30H,4-6,31-32H2,1-3H3,(H2,49,50,51,52,53,54);/q;+1/p-1 |
InChIKey | NKLPQNGYXWVELD-UHFFFAOYSA-M |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |