SpectraBase Compound ID | 62j2pJem0DQ |
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InChI | InChI=1S/C34H26N4O14S4.2Ba/c1-17-11-21(35-37-31-27-9-5-23(53(41,42)43)13-19(27)15-29(33(31)39)55(47,48)49)3-7-25(17)26-8-4-22(12-18(26)2)36-38-32-28-10-6-24(54(44,45)46)14-20(28)16-30(34(32)40)56(50,51)52;;/h3-16,39-40H,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;/q;2*+2/p-4 |
InChIKey | GZFRMLXQGVUULQ-UHFFFAOYSA-J |
Mol Weight | 1113.5 g/mol |
Molecular Formula | C34H22Ba2N4O14S4 |
Exact Mass | 1113.81203 g/mol |
SpectraBase Spectrum ID | Bn1IJN7WiUW |
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Name | R=acid[-m-tolidine-]R=acid(Ba salt) |
CAS Registry Number | 55372-76-4 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C34H22Ba2N4O14S4 |
InChI | InChI=1S/C34H26N4O14S4.2Ba/c1-17-11-21(35-37-31-27-9-5-23(53(41,42)43)13-19(27)15-29(33(31)39)55(47,48)49)3-7-25(17)26-8-4-22(12-18(26)2)36-38-32-28-10-6-24(54(44,45)46)14-20(28)16-30(34(32)40)56(50,51)52;;/h3-16,39-40H,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;/q;2*+2/p-4 |
InChIKey | GZFRMLXQGVUULQ-UHFFFAOYSA-J |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |