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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 JEjSPq4huYy
Name Esmolol-A (CH2O,-H2O)
Classification Pharmaceutical drug artifact
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
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
Nominal Mass 307 u
Quality 923
Retention Index 2310
SMILES C1(CN(CO1)C(C)C)COC1=CC=C(C=C1)CCC(OC)=O
SPLASH splash10-06vi-4910000000-0a43de2c2329ffb978ff
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms methyl 3-(4-((3-(propan-2-yl)-1,3-oxazolidin-5-yl)methoxy)phenyl)propanoate
Technique GC/MS
Wiley ID DD2024_007940