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Acebutolol TMS
SpectraBase Compound ID KkTv6Up8xOg
InChI InChI=1S/C21H36N2O4Si/c1-8-9-21(25)23-17-10-11-20(19(12-17)16(4)24)26-14-18(13-22-15(2)3)27-28(5,6)7/h10-12,15,18,22H,8-9,13-14H2,1-7H3,(H,23,25)
InChIKey DDGCSONYLOQZSN-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C21H36N2O4Si
Exact Mass 408.244434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dn7VHLaFglE
Name Acebutolol TMS
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 408.244434178 u
Formula C21H36N2O4Si
InChI InChI=1S/C21H36N2O4Si/c1-8-9-21(25)23-17-10-11-20(19(12-17)16(4)24)26-14-18(13-22-15(2)3)27-28(5,6)7/h10-12,15,18,22H,8-9,13-14H2,1-7H3,(H,23,25)
InChIKey DDGCSONYLOQZSN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 408.614 g/mol
Nominal Mass 408 u
Quality 997
Retention Index 2796
SMILES C1(=CC(=C(C=C1)OCC(CNC(C)C)O[Si](C)(C)C)C(=O)C)NC(CCC)=O
SPLASH splash10-00di-9220000000-4ebf4c3ed91cb970114e
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(3-acetyl-4-(3-(propan-2-ylamino)-2-((trimethylsilyl)oxy)propoxy)phenyl)butanamide
Technique GC/MS
Wiley ID DD2024_000019