SpectraBase Compound ID | LETFbLm4OKT |
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InChI | InChI=1S/C45H45N3O6S2.Na/c1-5-47(30-34-12-10-16-41(28-34)55(49,50)51)39-22-24-43(32(3)26-39)45(36-18-20-38(21-19-36)46-37-14-8-7-9-15-37)44-25-23-40(27-33(44)4)48(6-2)31-35-13-11-17-42(29-35)56(52,53)54;/h7-29H,5-6,30-31H2,1-4H3,(H2,49,50,51,52,53,54);/q;+1/p-1 |
InChIKey | LSZCFIXTDYUHEQ-UHFFFAOYSA-M |
Mol Weight | 809.97176928 g/mol |
Molecular Formula | C45H44N3NaO6S2 |
Exact Mass | 809.256923 g/mol |
SpectraBase Spectrum ID | 7XQ6nli0MAX |
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Name | Diethyl-di-m-sulfobenzyl-p-amino-p-anilino-fuchsonimonium(Na salt des inn.sulfonats) |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C45H44N3NaO6S2 |
InChI | InChI=1S/C45H45N3O6S2.Na/c1-5-47(30-34-12-10-16-41(28-34)55(49,50)51)39-22-24-43(32(3)26-39)45(36-18-20-38(21-19-36)46-37-14-8-7-9-15-37)44-25-23-40(27-33(44)4)48(6-2)31-35-13-11-17-42(29-35)56(52,53)54;/h7-29H,5-6,30-31H2,1-4H3,(H2,49,50,51,52,53,54);/q;+1/p-1 |
InChIKey | LSZCFIXTDYUHEQ-UHFFFAOYSA-M |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |