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Timolol-M (deisobutyl-) -H2O AC
SpectraBase Compound ID 2CW64D09n8d
InChI InChI=1S/C11H16N4O3S/c1-9(16)12-3-2-6-18-11-10(13-19-14-11)15-4-7-17-8-5-15/h2-3H,4-8H2,1H3,(H,12,16)/b3-2+
InChIKey CFRHWEZZQCZKLN-NSCUHMNNSA-N
Mol Weight 284.33 g/mol
Molecular Formula C11H16N4O3S
Exact Mass 284.094312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpTK7Uj69mH
Name Timolol-M (deisobutyl-) -H2O AC
Classification Beta-Blocker
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Exact Mass 284.094311562 u
Formula C11H16N4O3S
InChI InChI=1S/C11H16N4O3S/c1-9(16)12-3-2-6-18-11-10(13-19-14-11)15-4-7-17-8-5-15/h2-3H,4-8H2,1H3,(H,12,16)/b3-2+
InChIKey CFRHWEZZQCZKLN-NSCUHMNNSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 284.334 g/mol
SMILES CC(N\C=C\COc1c(nsn1)N1CCOCC1)=O
SPLASH splash10-0a4i-8930000000-5d64a3b97c68bdda9992
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: UHYAC
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_1711