SpectraBase Compound ID | 3mFzpzBr4Cr |
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InChI | InChI=1S/C19H18ClN3O4S.C6H15N/c1-12-16(10-13-4-6-14(7-5-13)22(2)3)19(24)23(21-12)18-11-15(28(25,26)27)8-9-17(18)20;1-4-7(5-2)6-3/h4-11H,1-3H3,(H,25,26,27);4-6H2,1-3H3/b16-10-; |
InChIKey | GDMMFAHFEBIZNT-HYMQDMCPSA-N |
Mol Weight | 521.08 g/mol |
Molecular Formula | C25H33ClN4O4S |
Exact Mass | 520.191104 g/mol |
SpectraBase Spectrum ID | CxBShv6VeAU |
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Name | 4-Chloro-3-[4-[4-(dimethylamino)benzylidene]-3-methyl-5-oxo-2-pyrazolin-1-yl]benzenesulfonic acid triethylammonium salt |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 385956 |
CAS Registry Number | 143193-48-0 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C25H33ClN4O4S |
InChI | InChI=1S/C19H18ClN3O4S.C6H15N/c1-12-16(10-13-4-6-14(7-5-13)22(2)3)19(24)23(21-12)18-11-15(28(25,26)27)8-9-17(18)20;1-4-7(5-2)6-3/h4-11H,1-3H3,(H,25,26,27);4-6H2,1-3H3/b16-10-; |
InChIKey | GDMMFAHFEBIZNT-HYMQDMCPSA-N |
Observed nucleus | 1H |
Purity | Dye content 95 % |
Solvent | DMSO-d6 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Wiley ID | SIAL_1HNMR_008334 |