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Timolol-M/A (des-tert-butyl,-H2O) AC
SpectraBase Compound ID 7vcSUt6w8Ms
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/h2,6H,3-5,7-8H2,1H3,(H,12,16)/b6-2+
InChIKey NURGCQUJJOEAAT-QHHAFSJGSA-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 2nSt8oTP2FE
Name Timolol-M/A (des-tert-butyl,-H2O) AC
Classification Pharmaceutical drug metabolite derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
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/h2,6H,3-5,7-8H2,1H3,(H,12,16)/b6-2+
InChIKey NURGCQUJJOEAAT-QHHAFSJGSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 284.334 g/mol
Nominal Mass 284 u
Quality 917
Retention Index 2325
SMILES C=1(C(=NSN1)O\C=C\CNC(=O)C)N1CCOCC1
SPLASH splash10-0a4i-4920000000-c2411afd3351eceec7a3
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(3-((4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl)oxy)prop-2-en-1-yl)acetamide
Technique GC/MS
Wiley ID DD2024_007981