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Esmolol -H2O AC
SpectraBase Compound ID 4da7nna8WO5
InChI InChI=1S/C18H25NO4/c1-14(2)19(15(3)20)12-5-13-23-17-9-6-16(7-10-17)8-11-18(21)22-4/h5-7,9-10,12,14H,8,11,13H2,1-4H3/b12-5-
InChIKey NYLHFHZINXYGTI-XGICHPGQSA-N
Mol Weight 319.4 g/mol
Molecular Formula C18H25NO4
Exact Mass 319.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQche5IUTIa
Name Esmolol -H2O AC
Classification Beta-Blocker
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Exact Mass 319.178358285 u
Formula C18H25NO4
InChI InChI=1S/C18H25NO4/c1-14(2)19(15(3)20)12-5-13-23-17-9-6-16(7-10-17)8-11-18(21)22-4/h5-7,9-10,12,14H,8,11,13H2,1-4H3/b12-5-
InChIKey NYLHFHZINXYGTI-XGICHPGQSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 319.401 g/mol
SMILES c1c(ccc(c1)CCC(=O)OC)OC\C=C/N(C(C)=O)C(C)C
SPLASH splash10-0udi-8690000000-5cd5189bd41a835de22d
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_6267