| SpectraBase Compound ID | CO089U3YZ7t |
|---|---|
| InChI | InChI=1S/C29H28N6O6S.2Na/c1-14-9-18(5-7-22(14)33-32-20-11-17(4)28(36)21(13-20)29(37)38)19-6-8-23(15(2)10-19)34-35-27-25(30)16(3)12-24(26(27)31)42(39,40)41;;/h5-13,36H,30-31H2,1-4H3,(H,37,38)(H,39,40,41);;/q;2*+1/p-2/b33-32+,35-34+;; |
| InChIKey | QZTLNYJDZDCTFN-NDRCTJIESA-L |
| Mol Weight | 632.60253856 g/mol |
| Molecular Formula | C29H26N6Na2O6S |
| Exact Mass | 632.142992 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | LClE6KLPPvV |
|---|---|
| Name | (1)2,3-Cresotinacid |
| CAS Registry Number | 2868-76-0 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C29H26N6Na2O6S |
| InChI | InChI=1S/C29H28N6O6S.2Na/c1-14-9-18(5-7-22(14)33-32-20-11-17(4)28(36)21(13-20)29(37)38)19-6-8-23(15(2)10-19)34-35-27-25(30)16(3)12-24(26(27)31)42(39,40)41;;/h5-13,36H,30-31H2,1-4H3,(H,37,38)(H,39,40,41);;/q;2*+1/p-2/b33-32+,35-34+;; |
| InChIKey | QZTLNYJDZDCTFN-NDRCTJIESA-L |
| Instrument Name | Bruker IFS 85 |
| Synonyms | 4,6-Diamino-m-toluol sulfonic acid (2)[-o-tolidine-] Benzoic acid, 5-[[4'-[(2,6-diamino-3-methyl-5-sulfophenyl) |
| Technique | KBr-Pellet |