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3-(Acetylthiomethyl)-4-phenyl-1,2,5-oxadiazole 2-oxide

View entire compound with spectra: 1 MS (GC)

3-(Acetylthiomethyl)-4-phenyl-1,2,5-oxadiazole 2-oxide
SpectraBase Compound ID 2iPWUJOKaeH
InChI InChI=1S/C11H10N2O3S/c1-8(14)17-7-10-11(12-16-13(10)15)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey JLHQOKDXJBOILI-UHFFFAOYSA-N
Mol Weight 250.27 g/mol
Molecular Formula C11H10N2O3S
Exact Mass 250.041213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BK9XvihqsoS
Name 3-(Acetylthiomethyl)-4-phenyl-1,2,5-oxadiazole 2-oxide
Alternate Name(s) 3-((acetylthio)methyl)-4-phenyl-1,2,5-oxadiazole 2-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10N2O3S
InChI InChI=1S/C11H10N2O3S/c1-8(14)17-7-10-11(12-16-13(10)15)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey JLHQOKDXJBOILI-UHFFFAOYSA-N
Literature Reference DOI 10.5012/bkcs.2010.31.12.3583
Molecular Weight 250.272 g/mol
SMILES C(SC(=O)C)c1[n+](onc1-c1ccccc1)[O-]
SPLASH splash10-00xs-0950000000-9c59a010d2ad582e4e7b
Source of Spectrum QB-31-2-1c
Wiley ID 1743651