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Celiprolol
SpectraBase Compound ID GT6YyombJo2
InChI InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)
InChIKey JOATXPAWOHTVSZ-UHFFFAOYSA-N
Mol Weight 379.5 g/mol
Molecular Formula C20H33N3O4
Exact Mass 379.247107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1PFT7zpup4
Name Celiprolol
CAS Registry Number 56980-93-9
Classification Beta-Blocker
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 379.247106551 u
Formula C20H33N3O4
InChI InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)
InChIKey JOATXPAWOHTVSZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 379.501 g/mol
SMILES c1(ccc(cc1C(C)=O)NC(N(CC)CC)=O)OCC(O)CNC(C)(C)C
SPLASH splash10-0k9i-9400000000-7c38b51a3e3efa51e37f
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_2846