SpectraBase Compound ID | F9KHbe6MQ2O |
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InChI | InChI=1S/C31H22N6O9S.Cu.2Na/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39;;;/h1-16,38-41H,(H,42,43)(H,44,45,46);;;/q;+2;2*+1/p-4/b34-32+,36-35+,37-33?;;; |
InChIKey | HZBTZQVWJPRVDN-WWRWWFNZSA-J |
Mol Weight | 760.10383856 g/mol |
Molecular Formula | C31H18CuN6Na2O9S |
Exact Mass | 758.994733 g/mol |
SpectraBase Spectrum ID | KKKJ0Vyob25 |
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Name | Salicylic acid(1)[-benzidine-](2)[2-amino-1-phenol-4-sulfonic acid->resorcin/Cu complex] |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C31H18CuN6Na2O9S |
InChI | InChI=1S/C31H22N6O9S.Cu.2Na/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39;;;/h1-16,38-41H,(H,42,43)(H,44,45,46);;;/q;+2;2*+1/p-4/b34-32+,36-35+,37-33?;;; |
InChIKey | HZBTZQVWJPRVDN-WWRWWFNZSA-J |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |