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3,4-dimethyl-2-pyrazole
SpectraBase Compound ID 1yUPDCTjmHz
InChI InChI=1S/C5H8N2O/c1-3-4(2)6-7-5(3)8/h3H,1-2H3,(H,7,8)
InChIKey PRCIXKQBKWRGMA-UHFFFAOYSA-N
Mol Weight 112.13 g/mol
Molecular Formula C5H8N2O
Exact Mass 112.063663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IinSeyw1SYX
Name 3H-Pyrazol-3-one, 2,4-dihydro-4,5-dimethyl-
CAS Registry Number 6628-22-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H8N2O
InChI InChI=1S/C5H8N2O/c1-3-4(2)6-7-5(3)8/h3H,1-2H3,(H,7,8)
InChIKey PRCIXKQBKWRGMA-UHFFFAOYSA-N
Molecular Weight 112.132 g/mol
SMILES N1C(C(C(=N1)C)C)=O
SPLASH splash10-03dl-9200000000-14995b065302fa99c371
Source of Spectrum AD-0-2532-0
Synonyms 4,5-Dimethyl-2,4-dihydro-3H-pyrazol-3-one 2-Pyrazolin-5-one, 3,4-dimethyl- 3,4-Dimethyl-1,4-dihydropyrazol-5-one 3,4-Dimethyl-2-pyrazolin-5-one 3,4-Dimethyl-5-pyrazolinone 3,4-Dimethyl-5-pyrazolone 3,4-Dimethyl-d2-pyrazol-5-one 4,5-Dimethyl-2-pyrazolin-3-one EINECS 229-608-6
Wiley ID 1419393