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1,3-Dimethyl-2-pyrazolin-5-one
SpectraBase Compound ID bt7dwdXOON
InChI InChI=1S/C5H8N2O/c1-4-3-5(8)7(2)6-4/h3H2,1-2H3
InChIKey NDELSWXIAJLWOU-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 7yOmruMwQJU
Name 1,3-Dimethyl-2-pyrazolin-5-one
CAS Registry Number 2749-59-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H8N2O
InChI InChI=1S/C5H8N2O/c1-4-3-5(8)7(2)6-4/h3H2,1-2H3
InChIKey NDELSWXIAJLWOU-UHFFFAOYSA-N
Molecular Weight 112.132 g/mol
SMILES CN1C(=O)CC(=N1)C
SPLASH splash10-01ox-9400000000-9b4ff98653e2320f8596
Source of Spectrum O-2-707-3
Synonyms 3H-Pyrazol-3-one, 2,4-dihydro-2,5-dimethyl- 2,5-Dimethyl-2,4-dihydro-3H-pyrazol-3-one 1,3-Dimethyl-5-pyrazolinone 1,3-Dimethyl-5-pyrazolone 2,4-Dihydro-2,5-dimethyl-3H-pyrazol-3-one 2,5-Dimethyl-2-pyrazolin-3-one 2,5-Dimethyl-4H-pyrazol-3-one 2-Pyrazolin-5-one, 1,3-dimethyl- EINECS 220-389-2
Wiley ID 1123034