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4-Phenyl-3,5-pyrazolidinedione

View entire compound with spectra: 1 MS (GC)

4-Phenyl-3,5-pyrazolidinedione
SpectraBase Compound ID 3GQ5HUaaYhQ
InChI InChI=1S/C9H8N2O2/c12-8-7(9(13)11-10-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,12)(H,11,13)
InChIKey LVPAFBQXTOAGDR-UHFFFAOYSA-N
Mol Weight 176.18 g/mol
Molecular Formula C9H8N2O2
Exact Mass 176.058578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BDTdbJOFzgC
Name 4-Phenyl-3,5-pyrazolidinedione
Alternate Name(s) 4-Phenylpyrazolidine-3,5-dione 4-Phenylpyrazolidine-3,5-quinone Pyrazolidine-3,5-dione, 4-phenyl-
CAS Registry Number 23876-79-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2O2
InChI InChI=1S/C9H8N2O2/c12-8-7(9(13)11-10-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,12)(H,11,13)
InChIKey LVPAFBQXTOAGDR-UHFFFAOYSA-N
Molecular Weight 176.175 g/mol
SMILES N1NC(C(C1=O)c1ccccc1)=O
SPLASH splash10-00p3-9800000000-f44e0077afeda83d57b2
Source of Spectrum AD-0-2532-0
Wiley ID 1419233