SpectraBase Compound ID | FrKwxEKEdye |
---|---|
InChI | InChI=1S/C23H20N4O7S2.Na/c1-15-3-11-21(12-4-15)36(32,33)34-19-9-5-17(6-10-19)24-25-22-16(2)26-27(23(22)28)18-7-13-20(14-8-18)35(29,30)31;/h3-14,28H,1-2H3,(H,29,30,31);/q;+1/p-1/b25-24+; |
InChIKey | LTTPMOYOMXVHRK-QREUMGABSA-M |
Mol Weight | 550.53576928 g/mol |
Molecular Formula | C23H19N4NaO7S2 |
Exact Mass | 550.059286 g/mol |
SpectraBase Spectrum ID | KSBCQrUfKCS |
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Name | /p-Toluolsulfonyl ester p-Aminophenol->3-methyl-1-(p-sulfophenyl)-5-pyrazolon |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C23H19N4NaO7S2 |
InChI | InChI=1S/C23H20N4O7S2.Na/c1-15-3-11-21(12-4-15)36(32,33)34-19-9-5-17(6-10-19)24-25-22-16(2)26-27(23(22)28)18-7-13-20(14-8-18)35(29,30)31;/h3-14,28H,1-2H3,(H,29,30,31);/q;+1/p-1/b25-24+; |
InChIKey | LTTPMOYOMXVHRK-QREUMGABSA-M |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |