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3-METHYL-4-(1-ACETYL-2-PHENYL-3-METHYL-5-PYRAZOLIDINYL)-PYRAZOL-5-ONE

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3-METHYL-4-(1-ACETYL-2-PHENYL-3-METHYL-5-PYRAZOLIDINYL)-PYRAZOL-5-ONE
SpectraBase Compound ID KunmUKWsUDv
InChI InChI=1S/C16H20N4O2/c1-10-9-14(15-11(2)17-18-16(15)22)20(12(3)21)19(10)13-7-5-4-6-8-13/h4-8,10,14-15H,9H2,1-3H3,(H,18,22)
InChIKey GJWXMZDCVDRMMW-UHFFFAOYSA-N
Mol Weight 300.36 g/mol
Molecular Formula C16H20N4O2
Exact Mass 300.158626 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 61MRg0UyOYF
Name 3H-pyrazol-3-one, 4-[(3R,5S)-2-acetyl-5-methyl-1-phenylpyrazolidinyl]-2,4-dihydro-5-methyl-, (4S)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.158625898 u
Formula C16H20N4O2
InChI InChI=1S/C16H20N4O2/c1-10-9-14(15-11(2)17-18-16(15)22)20(12(3)21)19(10)13-7-5-4-6-8-13/h4-8,10,14-15H,9H2,1-3H3,(H,18,22)
InChIKey GJWXMZDCVDRMMW-UHFFFAOYSA-N
Molecular Weight 300.362 g/mol
NMR Offset 16.9587
NMR Spectrometer Frequency 500.131
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14295
Solvent ACETONE-d6
Source Vendor ID: CHC98/03033; Lab Info:##$NAME= 3H-pyrazol-3-one, 4-[(3R,5S)-2-acetyl-5-methyl-1-phenylpyrazolidinyl]-2,4-dihydro-5-methyl-, (4S)-