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Esmolol-A (CH2O,-H2O)
SpectraBase Compound ID 1SS0lq5ewfG
InChI InChI=1S/C17H25NO4/c1-13(2)18-10-16(22-12-18)11-21-15-7-4-14(5-8-15)6-9-17(19)20-3/h4-5,7-8,13,16H,6,9-12H2,1-3H3
InChIKey LYGOTDPFRILBKO-UHFFFAOYSA-N
Mol Weight 307.39 g/mol
Molecular Formula C17H25NO4
Exact Mass 307.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCaWlWmpN4A
Name Esmolol formyl artifact
Classification Beta-Blocker
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Exact Mass 307.178358285 u
Formula C17H25NO4
InChI InChI=1S/C17H25NO4/c1-13(2)18-10-16(22-12-18)11-21-15-7-4-14(5-8-15)6-9-17(19)20-3/h4-5,7-8,13,16H,6,9-12H2,1-3H3
InChIKey LYGOTDPFRILBKO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 307.390 g/mol
Related CAS Registry Number(s) 103598-03-4
SMILES COC(CCc1ccc(OCC2CN(CO2)C(C)C)cc1)=O
SPLASH splash10-06vr-9810000000-755b13fa70586de717eb
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.
Sample Preparation Procedure Detected: G
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_5135