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Pyrazol-5(4H)-one, 1-acetyl-4-allyl-3-methyl-
SpectraBase Compound ID 26pb5rzxLC0
InChI InChI=1S/C9H12N2O2/c1-4-5-8-6(2)10-11(7(3)12)9(8)13/h4,8H,1,5H2,2-3H3
InChIKey DDXDSCPDCIAFBB-UHFFFAOYSA-N
Mol Weight 180.21 g/mol
Molecular Formula C9H12N2O2
Exact Mass 180.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bsw5xOh0BFb
Name Pyrazol-5(4H)-one, 1-acetyl-4-allyl-3-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2O2
InChI InChI=1S/C9H12N2O2/c1-4-5-8-6(2)10-11(7(3)12)9(8)13/h4,8H,1,5H2,2-3H3
InChIKey DDXDSCPDCIAFBB-UHFFFAOYSA-N
Molecular Weight 180.207 g/mol
SMILES CC(N1N=C(C)C(C1=O)CC=C)=O
SPLASH splash10-000l-7900000000-acbc59536a43801aa6b4
Source of Spectrum AD-0-2532-0
Synonyms 2-Acetyl-4-allyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one 2-Acetyl-4-allyl-5-methyl-2-pyrazolin-3-one 2-Acetyl-4-allyl-5-methyl-4H-pyrazol-3-one 2-Acetyl-5-methyl-4-prop-2-enyl-4H-pyrazol-3-one 2-Ethanoyl-5-methyl-4-prop-2-enyl-4H-pyrazol-3-one
Wiley ID 1429852