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5-Methyl-4-(2-pentynyl)-1,2-dihydro-3-pyrazolone
SpectraBase Compound ID EfLkMY0ITGu
InChI InChI=1S/C9H12N2O/c1-3-4-5-6-8-7(2)10-11-9(8)12/h3,6H2,1-2H3,(H2,10,11,12)
InChIKey ZPQBKLYDAKWERY-UHFFFAOYSA-N
Mol Weight 164.21 g/mol
Molecular Formula C9H12N2O
Exact Mass 164.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5nCJ1Hr6KFw
Name 5-Methyl-4-(2-pentynyl)-1,2-dihydro-3-pyrazolone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2O
InChI InChI=1S/C9H12N2O/c1-3-4-5-6-8-7(2)10-11-9(8)12/h3,6H2,1-2H3,(H2,10,11,12)
InChIKey ZPQBKLYDAKWERY-UHFFFAOYSA-N
Molecular Weight 164.208 g/mol
SMILES N1C(=C(C(N1)=O)CC#CCC)C
SPLASH splash10-03dr-3900000000-8c25506007833fc31071
Source of Spectrum F2-44-3038-28
Synonyms 5-Methyl-4-pent-2-ynyl-1,2-dihydropyrazol-3-one
Wiley ID 1716122