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2-(1,3-benzothiazol-2-yl)-4-ethanoyl-5-methyl-4H-pyrazol-3-one
SpectraBase Compound ID 1G8cnXxXKcC
InChI InChI=1S/C13H11N3O2S/c1-7-11(8(2)17)12(18)16(15-7)13-14-9-5-3-4-6-10(9)19-13/h3-6,11H,1-2H3
InChIKey YIBDYFNUFVAUTM-UHFFFAOYSA-N
Mol Weight 273.31 g/mol
Molecular Formula C13H11N3O2S
Exact Mass 273.057198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EwrFNpKYK5m
Name 2-(1,3-benzothiazol-2-yl)-4-ethanoyl-5-methyl-4H-pyrazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N3O2S
InChI InChI=1S/C13H11N3O2S/c1-7-11(8(2)17)12(18)16(15-7)13-14-9-5-3-4-6-10(9)19-13/h3-6,11H,1-2H3
InChIKey YIBDYFNUFVAUTM-UHFFFAOYSA-N
Molecular Weight 273.310 g/mol
SMILES CC1=NN(C(C1C(C)=O)=O)c1nc2ccccc2s1
SPLASH splash10-0a4i-9680000000-884cc010220f0cf6ad9b
Synonyms 4-Acetyl-2-(1,3-benzothiazol-2-yl)-5-methyl-2-pyrazolin-3-one 4-Acetyl-2-(1,3-benzothiazol-2-yl)-5-methyl-4H-pyrazol-3-one Pyrazol-3-one, 4-acetyl-2-benzothiazol-2-yl-5-methyl-2,4-dihydro-
Wiley ID 1440568