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Celiprolol 2AC
SpectraBase Compound ID DzACJGCBcQ3
InChI InChI=1S/C24H37N3O6/c1-9-26(10-2)23(31)25-19-11-12-22(21(13-19)16(3)28)32-15-20(33-18(5)30)14-27(17(4)29)24(6,7)8/h11-13,20H,9-10,14-15H2,1-8H3,(H,25,31)
InChIKey DJQXSQKPXYTTHU-UHFFFAOYSA-N
Mol Weight 463.6 g/mol
Molecular Formula C24H37N3O6
Exact Mass 463.268236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HjeEp3IoEK
Name Celiprolol 2AC
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 463.268235917 u
Formula C24H37N3O6
InChI InChI=1S/C24H37N3O6/c1-9-26(10-2)23(31)25-19-11-12-22(21(13-19)16(3)28)32-15-20(33-18(5)30)14-27(17(4)29)24(6,7)8/h11-13,20H,9-10,14-15H2,1-8H3,(H,25,31)
InChIKey DJQXSQKPXYTTHU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 463.575 g/mol
Nominal Mass 463 u
Quality 933
SMILES C(N(CC(COC1=C(C=C(NC(N(CC)CC)=O)C=C1)C(=O)C)OC(=O)C)C(=O)C)(C)(C)C
SPLASH splash10-0a4i-6930000000-52027c711989f2f99abe
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(acetyl(tert-butyl)amino)-3-(2-acetyl-4-((diethylcarbamoyl)amino)phenoxy)propan-2-yl acetate
Technique DI/MS
Wiley ID DD2024_000492