| SpectraBase Compound ID | 1MysWNoxYBQ |
|---|---|
| InChI | InChI=1S/C50H39N9O18S2.4Na/c1-74-39-21-35(41(76-3)19-33(39)54-52-27-7-11-37(60)31(17-27)49(64)65)56-58-45-43(78(68,69)70)15-23-13-25(5-9-29(23)47(45)62)51-26-6-10-30-24(14-26)16-44(79(71,72)73)46(48(30)63)59-57-36-22-40(75-2)34(20-42(36)77-4)55-53-28-8-12-38(61)32(18-28)50(66)67;;;;/h5-22,51,60-63H,1-4H3,(H,64,65)(H,66,67)(H,68,69,70)(H,71,72,73);;;;/q;4*+1/p-4/b54-52-,55-53-,58-56?,59-57?;;;; |
| InChIKey | KQHOLMGPQLFOQN-CQZIIPQLSA-J |
| Mol Weight | 1205.95407713 g/mol |
| Molecular Formula | C50H35N9Na4O18S2 |
| Exact Mass | 1205.113225 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | Gjx1gVyd2r6 |
|---|---|
| Name | (5-Aminosalicylacid->2,5-dimethoxyaniline)(2 mol)->>6,6'-Iminobis-1-naphthol-3-sulfonacid |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C50H35N9Na4O18S2 |
| InChI | InChI=1S/C50H39N9O18S2.4Na/c1-74-39-21-35(41(76-3)19-33(39)54-52-27-7-11-37(60)31(17-27)49(64)65)56-58-45-43(78(68,69)70)15-23-13-25(5-9-29(23)47(45)62)51-26-6-10-30-24(14-26)16-44(79(71,72)73)46(48(30)63)59-57-36-22-40(75-2)34(20-42(36)77-4)55-53-28-8-12-38(61)32(18-28)50(66)67;;;;/h5-22,51,60-63H,1-4H3,(H,64,65)(H,66,67)(H,68,69,70)(H,71,72,73);;;;/q;4*+1/p-4/b54-52-,55-53-,58-56?,59-57?;;;; |
| InChIKey | KQHOLMGPQLFOQN-CQZIIPQLSA-J |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |