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Timolol-M (deisobutyl-) 2AC
SpectraBase Compound ID BjvFCVcMKyy
InChI InChI=1S/C13H20N4O5S/c1-9(18)14-7-11(22-10(2)19)8-21-13-12(15-23-16-13)17-3-5-20-6-4-17/h11H,3-8H2,1-2H3,(H,14,18)
InChIKey QLJYXZSPHAIZER-UHFFFAOYSA-N
Mol Weight 344.39 g/mol
Molecular Formula C13H20N4O5S
Exact Mass 344.115441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHiDNRkzA
Name Timolol-M (deisobutyl-) 2AC
Classification Beta-Blocker
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Exact Mass 344.115440929 u
Formula C13H20N4O5S
InChI InChI=1S/C13H20N4O5S/c1-9(18)14-7-11(22-10(2)19)8-21-13-12(15-23-16-13)17-3-5-20-6-4-17/h11H,3-8H2,1-2H3,(H,14,18)
InChIKey QLJYXZSPHAIZER-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 344.386 g/mol
SMILES C(Oc1c(nsn1)N1CCOCC1)C(OC(C)=O)CNC(C)=O
SPLASH splash10-0a4i-7900000000-3d69bfae3318b463ce78
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_1712