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3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxohexyl)-2-phenyl-
SpectraBase Compound ID 5KmCXXzRyu6
InChI InChI=1S/C16H20N2O2/c1-3-4-6-11-14(19)15-12(2)17-18(16(15)20)13-9-7-5-8-10-13/h5,7-10,15H,3-4,6,11H2,1-2H3
InChIKey IIMXGOZCAZBYLL-UHFFFAOYSA-N
Mol Weight 272.35 g/mol
Molecular Formula C16H20N2O2
Exact Mass 272.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35myhnKxSy
Name 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxohexyl)-2-phenyl-
CAS Registry Number 18667-23-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O2
InChI InChI=1S/C16H20N2O2/c1-3-4-6-11-14(19)15-12(2)17-18(16(15)20)13-9-7-5-8-10-13/h5,7-10,15H,3-4,6,11H2,1-2H3
InChIKey IIMXGOZCAZBYLL-UHFFFAOYSA-N
Molecular Weight 272.348 g/mol
SMILES c1ccc(N2C(C(C(=O)CCCCC)C(=N2)C)=O)cc1
SPLASH splash10-0ftf-9210000000-268bb5c49a8b089c584a
Synonyms 4-Hexanoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one 2-Pyrazolin-5-one, 4-hexanoyl-3-methyl-1-phenyl- 4-caproyl-5-methyl-2-phenyl-2-pyrazolin-3-one 4-Hexanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one 5-Methyl-4-(1-oxohexyl)-2-phenyl-4H-pyrazol-3-one
Wiley ID 1437789