SpectraBase Compound ID | 6hVMfEHFib7 |
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InChI | InChI=1S/2C21H23N3O3.H2O4S/c2*1-16-19(20(25)24(23(16)3)18-12-8-5-9-13-18)22(2)14-15-27-21(26)17-10-6-4-7-11-17;1-5(2,3)4/h2*4-13H,14-15H2,1-3H3;(H2,1,2,3,4) |
InChIKey | PYUMLWNVRPFVQZ-UHFFFAOYSA-N |
Mol Weight | 828.94 g/mol |
Molecular Formula | C42H48N6O10S |
Exact Mass | 828.315263 g/mol |
SpectraBase Spectrum ID | FzxUuy6iv60 |
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Name | benzoic acid, 2-[(antipyrinylmethyl)amino]ethyl ester, hydrogen sulfate |
Conditions | Neutral |
Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C42H48N6O10S |
InChI | InChI=1S/2C21H23N3O3.H2O4S/c2*1-16-19(20(25)24(23(16)3)18-12-8-5-9-13-18)22(2)14-15-27-21(26)17-10-6-4-7-11-17;1-5(2,3)4/h2*4-13H,14-15H2,1-3H3;(H2,1,2,3,4) |
InChIKey | PYUMLWNVRPFVQZ-UHFFFAOYSA-N |
Sadtler IR Number | 40376 |
Sadtler UV Number | 18145N |
Solvent | Methanol |