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3-Hydroxy-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butan-2-one
SpectraBase Compound ID EyPXGO64sFL
InChI InChI=1S/C13H14N2O3/c1-8-4-6-10(7-5-8)11-14-15-12(18-11)13(3,17)9(2)16/h4-7,17H,1-3H3
InChIKey DVJFUGVPHRVQEE-UHFFFAOYSA-N
Mol Weight 246.27 g/mol
Molecular Formula C13H14N2O3
Exact Mass 246.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rsOR5j5oJG
Name 3-Hydroxy-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O3
InChI InChI=1S/C13H14N2O3/c1-8-4-6-10(7-5-8)11-14-15-12(18-11)13(3,17)9(2)16/h4-7,17H,1-3H3
InChIKey DVJFUGVPHRVQEE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201000219
Molecular Weight 246.266 g/mol
SMILES OC(c1oc(-c2ccc(cc2)C)nn1)(C(=O)C)C
SPLASH splash10-0006-9430000000-ec7bb4466c8b010f01b6
Source of Spectrum H-94-286-4i
Synonyms 3-Hydroxy-3-(5-(p-tolyl)-1,3,4-oxadiazol-2-yl)butan-2-one
Wiley ID 1785936