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Metoprolol
SpectraBase Compound ID 8w1W5MD2R6b
InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
InChIKey IUBSYMUCCVWXPE-UHFFFAOYSA-N
Mol Weight 267.37 g/mol
Molecular Formula C15H25NO3
Exact Mass 267.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IyRPEIf9Sy
Name Metoprolol
CAS Registry Number 54163-88-1
Classification Pharmaceutical drug, beta-adrenergic blocker
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 267.183443666 u
Formula C15H25NO3
InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
InChIKey IUBSYMUCCVWXPE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 267.369 g/mol
Nominal Mass 267 u
Quality 987
Retention Index 2052
SMILES OC(CNC(C)C)COC=1C=CC(=CC1)CCOC
SPLASH splash10-00di-9100000000-0318c1845dc04001daec
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-iso-Propylamino-3-[4-(2-methoxyethyl)phenoxy]-2-propanol
Technique GC/MS
Wiley ID DD2024_022121