SpectraBase Compound ID | DbnsTdAeG98 |
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InChI | InChI=1S/C21H14N2O7S/c24-16-10-17(31(28,29)30)13-7-3-4-8-14(13)18(16)22-23-19-12-6-2-1-5-11(12)9-15(20(19)25)21(26)27/h1-10,24-25H,(H,26,27)(H,28,29,30)/b23-22+ |
InChIKey | MVQBFZXBLLMXGS-GHVJWSGMSA-N |
Mol Weight | 438.41 g/mol |
Molecular Formula | C21H14N2O7S |
Exact Mass | 438.052172 g/mol |
SpectraBase Spectrum ID | FX6NTUS0RPV |
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Name | 2-Naphthalenecarboxylic acid, 3-hydroxy-4-[(2-hydroxy-4-sulfo-1-naphthalenyl)azo]-, 3 * H2O |
Source of Sample | E. Merck AG, Darmstadt |
CAS Registry Number | 3737-95-9 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C21H14N2O7S |
InChI | InChI=1S/C21H14N2O7S/c24-16-10-17(31(28,29)30)13-7-3-4-8-14(13)18(16)22-23-19-12-6-2-1-5-11(12)9-15(20(19)25)21(26)27/h1-10,24-25H,(H,26,27)(H,28,29,30)/b23-22+ |
InChIKey | MVQBFZXBLLMXGS-GHVJWSGMSA-N |
Instrument Name | Bruker IFS 85 |
Synonyms | Calconcarboxylic acid |
Technique | KBr-Pellet |