![5-Amino-2-chloro-4-sulfobenzoeacid->2-[p-(3-methyl-5-oxo-2-pyrazolin-yl)phenylsulfonyl]ethanolsulfate ester](/api/spectrum/Ex9mB8eXxvh/structure.png?h=300&w=458 "5-Amino-2-chloro-4-sulfobenzoeacid->2-[p-(3-methyl-5-oxo-2-pyrazolin-yl)phenylsulfonyl]ethanolsulfate ester")
| SpectraBase Compound ID | EvytH41IO7p |
|---|---|
| InChI | InChI=1S/C19H17ClN4O12S3.3Na/c1-10-17(22-21-15-8-13(19(26)27)14(20)9-16(15)38(30,31)32)18(25)24(23-10)11-2-4-12(5-3-11)37(28,29)7-6-36-39(33,34)35;;;/h2-5,8-9,25H,6-7H2,1H3,(H,26,27)(H,30,31,32)(H,33,34,35);;;/q;3*+1/p-3/b22-21+;;; |
| InChIKey | OWXVFORYIKSRBX-ZRUFZDNISA-K |
| Mol Weight | 690.93930785 g/mol |
| Molecular Formula | C19H14ClN4Na3O12S3 |
| Exact Mass | 689.915196 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | Ex9mB8eXxvh |
|---|---|
| Name | 5-Amino-2-chloro-4-sulfobenzoeacid->2-[p-(3-methyl-5-oxo-2-pyrazolin-yl)phenylsulfonyl]ethanolsulfate ester |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C19H14ClN4Na3O12S3 |
| InChI | InChI=1S/C19H17ClN4O12S3.3Na/c1-10-17(22-21-15-8-13(19(26)27)14(20)9-16(15)38(30,31)32)18(25)24(23-10)11-2-4-12(5-3-11)37(28,29)7-6-36-39(33,34)35;;;/h2-5,8-9,25H,6-7H2,1H3,(H,26,27)(H,30,31,32)(H,33,34,35);;;/q;3*+1/p-3/b22-21+;;; |
| InChIKey | OWXVFORYIKSRBX-ZRUFZDNISA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |