| SpectraBase Compound ID | CrRubq75pz1 |
|---|---|
| InChI | InChI=1S/C51H42N8O17S2.4Na/c1-73-35-11-3-29(4-12-35)52-31-7-15-37-27(19-31)21-43(77(67,68)69)47(49(37)64)58-56-39-17-9-33(23-41(39)75-25-45(60)61)54-51(66)55-34-10-18-40(42(24-34)76-26-46(62)63)57-59-48-44(78(70,71)72)22-28-20-32(8-16-38(28)50(48)65)53-30-5-13-36(74-2)14-6-30;;;;/h3-24,52-53,64-65H,25-26H2,1-2H3,(H,60,61)(H,62,63)(H2,54,55,66)(H,67,68,69)(H,70,71,72);;;;/q;4*+1/p-4/b58-56+,59-57+;;;; |
| InChIKey | BPBGIPYPAPKNSC-RVHLLPGGSA-J |
| Mol Weight | 1190.98307713 g/mol |
| Molecular Formula | C51H38N8Na4O17S2 |
| Exact Mass | 1190.138711 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | Jrat9nTA9Mm |
|---|---|
| Name | (2-Amino-5-nitrophenoxy)essigacid->N-p-methoxyphenyl-J=acid/reduc.NO2 to NH2 U. phosgen. |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C51H38N8Na4O17S2 |
| InChI | InChI=1S/C51H42N8O17S2.4Na/c1-73-35-11-3-29(4-12-35)52-31-7-15-37-27(19-31)21-43(77(67,68)69)47(49(37)64)58-56-39-17-9-33(23-41(39)75-25-45(60)61)54-51(66)55-34-10-18-40(42(24-34)76-26-46(62)63)57-59-48-44(78(70,71)72)22-28-20-32(8-16-38(28)50(48)65)53-30-5-13-36(74-2)14-6-30;;;;/h3-24,52-53,64-65H,25-26H2,1-2H3,(H,60,61)(H,62,63)(H2,54,55,66)(H,67,68,69)(H,70,71,72);;;;/q;4*+1/p-4/b58-56+,59-57+;;;; |
| InChIKey | BPBGIPYPAPKNSC-RVHLLPGGSA-J |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |