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3-tert-Butyl-1-phenyl-2-pyrazolin-5-one
SpectraBase Compound ID IdLHTIiyGp
InChI InChI=1S/C13H16N2O/c1-13(2,3)11-9-12(16)15(14-11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey NOSULZKBEJXMKJ-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C13H16N2O
Exact Mass 216.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9HcKXLEgdt1
Name 3-tert-Butyl-1-phenyl-2-pyrazolin-5-one
CAS Registry Number 6631-89-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O
InChI InChI=1S/C13H16N2O/c1-13(2,3)11-9-12(16)15(14-11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey NOSULZKBEJXMKJ-UHFFFAOYSA-N
Molecular Weight 216.284 g/mol
SMILES C1(N(N=C(C1)C(C)(C)C)c1ccccc1)=O
SPLASH splash10-0udi-5090000000-43a36061d4db66deba51
Source of Spectrum SO-0-611-0
Synonyms 2-Pyrazolin-5-one, 3-tert-butyl-1-phenyl- 3H-Pyrazol-3-one, 5-(1,1-dimethylethyl)-2,4-dihydro-2-phenyl- 5-tert-Butyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one 5-Tert-butyl-2-phenyl-2-pyrazolin-3-one 5-Tert-butyl-2-phenyl-4H-pyrazol-3-one 3-(tert-butyl)-1-phenyl-1H-pyrazol-5(4H)-one
Wiley ID 1542263