| SpectraBase Compound ID | 6xIgnW3su1n |
|---|---|
| InChI | InChI=1S/C41H33N9O17S4.4Na/c1-66-32-16-29(47-49-38-26(42)11-8-20-13-24(68(54,55)56)15-31(51)37(20)38)34(69(57,58)59)18-27(32)43-41(53)44-28-19-35(70(60,61)62)30(17-33(28)67-2)48-50-39-36(71(63,64)65)14-21-12-23(9-10-25(21)40(39)52)46-45-22-6-4-3-5-7-22;;;;/h3-19,51-52H,42H2,1-2H3,(H2,43,44,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65);;;;/q;4*+1/p-4/b46-45+,49-47+,50-48?;;;; |
| InChIKey | KJZGAYPNJLKWLE-MPTYAXDTSA-J |
| Mol Weight | 1139.92807713 g/mol |
| Molecular Formula | C41H29N9Na4O17S4 |
| Exact Mass | 1139.015502 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 953smpALGLm |
|---|---|
| Name | Gamma-acid(ac)(1)<-2,2'-dimethoxy-4,4'-diamino-diphenylharnstoff-5,5'-disulfoacid->(2)(alk)N-phenyl-J=acid |
| Copyright | Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C41H29N9Na4O17S4 |
| InChI | InChI=1S/C41H33N9O17S4.4Na/c1-66-32-16-29(47-49-38-26(42)11-8-20-13-24(68(54,55)56)15-31(51)37(20)38)34(69(57,58)59)18-27(32)43-41(53)44-28-19-35(70(60,61)62)30(17-33(28)67-2)48-50-39-36(71(63,64)65)14-21-12-23(9-10-25(21)40(39)52)46-45-22-6-4-3-5-7-22;;;;/h3-19,51-52H,42H2,1-2H3,(H2,43,44,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65);;;;/q;4*+1/p-4/b46-45+,49-47+,50-48?;;;; |
| InChIKey | KJZGAYPNJLKWLE-MPTYAXDTSA-J |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |