| SpectraBase Compound ID | 5yemBCmCGj0 |
|---|---|
| InChI | InChI=1S/C27H19ClN4O9S2.2Na/c1-41-25-13-21(30-31-22-10-14-5-6-16(42(35,36)37)9-15(14)11-24(22)33)19(28)12-23(25)32-29-20-8-7-17-18(27(20)34)3-2-4-26(17)43(38,39)40;;/h2-13,33-34H,1H3,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b31-30+,32-29?;; |
| InChIKey | BXSLPAWGDPFHTG-LPNYKOAOSA-L |
| Mol Weight | 687.00453856 g/mol |
| Molecular Formula | C27H17ClN4Na2O9S2 |
| Exact Mass | 685.992087 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | FZva0euBFVL |
|---|---|
| Name | Schaeffer acid(1)<-4'-amino-5'chloro-2'-methoxy-oxanilic acid-(2)hydrol.->(3)1-naphthol-5-sulfoacid |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C27H17ClN4Na2O9S2 |
| InChI | InChI=1S/C27H19ClN4O9S2.2Na/c1-41-25-13-21(30-31-22-10-14-5-6-16(42(35,36)37)9-15(14)11-24(22)33)19(28)12-23(25)32-29-20-8-7-17-18(27(20)34)3-2-4-26(17)43(38,39)40;;/h2-13,33-34H,1H3,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b31-30+,32-29?;; |
| InChIKey | BXSLPAWGDPFHTG-LPNYKOAOSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |