![2-Naphthalenecarboxylic acid, 4-[(5-chloro-4-methyl-2-sulfophenyl)azo]-3-hydroxy-, calcium salt (1:1)](/api/spectrum/6EGMED16S3a/structure.png?h=300&w=458 "2-Naphthalenecarboxylic acid, 4-[(5-chloro-4-methyl-2-sulfophenyl)azo]-3-hydroxy-, calcium salt (1:1)")
| SpectraBase Compound ID | 6thNYKPVaFK |
|---|---|
| InChI | InChI=1S/C18H13ClN2O6S.Ca/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2 |
| InChIKey | KCAQGUXPIKJXTQ-UHFFFAOYSA-L |
| Mol Weight | 458.9 g/mol |
| Molecular Formula | C18H11CaClN2O6S |
| Exact Mass | 457.965226 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 6EGMED16S3a |
|---|---|
| Name | 2-Naphthalenecarboxylic acid, 4-[(5-chloro-4-methyl-2-sulfophenyl)azo]-3-hydroxy-, calcium salt (1:1) |
| CAS Registry Number | 7023-61-2 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C18H11CaClN2O6S |
| InChI | InChI=1S/C18H13ClN2O6S.Ca/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2 |
| InChIKey | KCAQGUXPIKJXTQ-UHFFFAOYSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |