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3-Pyrazolidinone, 5-methyl-1-phenyl-2-[2-(2-pyrimidinylthio)acetyl]-
SpectraBase Compound ID 8i9kiqV9h2q
InChI InChI=1S/C16H16N4O2S/c1-12-10-14(21)20(19(12)13-6-3-2-4-7-13)15(22)11-23-16-17-8-5-9-18-16/h2-9,12H,10-11H2,1H3
InChIKey ITSRUNPJHFYXAT-UHFFFAOYSA-N
Mol Weight 328.39 g/mol
Molecular Formula C16H16N4O2S
Exact Mass 328.099397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6e94xbgysKT
Name 3-Pyrazolidinone, 5-methyl-1-phenyl-2-[2-(2-pyrimidinylthio)acetyl]-
Alternate Name(s) 5-Methyl-1-phenyl-2-(2-(pyrimidin-2-ylthio)acetyl)pyrazolidin-3-one 5-Methyl-1-phenyl-2-[(pyrimidin-2-ylsulfanyl)acetyl]pyrazolidin-3-one 5-Methyl-2-[1-oxo-2-(2-pyrimidinylthio)ethyl]-1-phenyl-3-pyrazolidinone 5-Methyl-1-phenyl-2-(2-pyrimidin-2-ylsulfanylacetyl)pyrazolidin-3-one 5-Methyl-1-phenyl-2-(2-pyrimidin-2-ylsulfanylethanoyl)pyrazolidin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N4O2S
InChI InChI=1S/C16H16N4O2S/c1-12-10-14(21)20(19(12)13-6-3-2-4-7-13)15(22)11-23-16-17-8-5-9-18-16/h2-9,12H,10-11H2,1H3
InChIKey ITSRUNPJHFYXAT-UHFFFAOYSA-N
Molecular Weight 328.390 g/mol
SMILES CC1CC(=O)N(N1c1ccccc1)C(=O)CSc1ncccn1
SPLASH splash10-0fb9-4900000000-ecfb9790f021a20eb1e8
Source of Spectrum JX-2015-3-496
Wiley ID 1724060