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Celiprolol AC
SpectraBase Compound ID EdkAprqkfg5
InChI InChI=1S/C22H35N3O5/c1-8-25(9-2)21(28)24-17-10-11-20(19(12-17)15(3)26)29-14-18(30-16(4)27)13-23-22(5,6)7/h10-12,18,23H,8-9,13-14H2,1-7H3,(H,24,28)
InChIKey XENAXWVZQMHMRK-UHFFFAOYSA-N
Mol Weight 421.5 g/mol
Molecular Formula C22H35N3O5
Exact Mass 421.257671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Nk7ZEF3nDT
Name Celiprolol AC
Classification Beta-Blocker
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Exact Mass 421.257671234 u
Formula C22H35N3O5
InChI InChI=1S/C22H35N3O5/c1-8-25(9-2)21(28)24-17-10-11-20(19(12-17)15(3)26)29-14-18(30-16(4)27)13-23-22(5,6)7/h10-12,18,23H,8-9,13-14H2,1-7H3,(H,24,28)
InChIKey XENAXWVZQMHMRK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 421.538 g/mol
SMILES c1(OCC(OC(=O)C)CNC(C)(C)C)c(C(C)=O)cc(cc1)NC(N(CC)CC)=O
SPLASH splash10-0a4r-9501000000-66e453a64255362f7ebf
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_2849