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phenyl-(3,4,4-trimethyl-5-methylene-1-pyrazolyl)methanone
SpectraBase Compound ID IJsinFoJPLE
InChI InChI=1S/C14H16N2O/c1-10-14(3,4)11(2)16(15-10)13(17)12-8-6-5-7-9-12/h5-9H,2H2,1,3-4H3
InChIKey ACSCPINKFVPQDK-UHFFFAOYSA-N
Mol Weight 228.29 g/mol
Molecular Formula C14H16N2O
Exact Mass 228.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1b6stSBIaaA
Name phenyl-(3,4,4-trimethyl-5-methylene-1-pyrazolyl)methanone
CAS Registry Number 87885-78-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O
InChI InChI=1S/C14H16N2O/c1-10-14(3,4)11(2)16(15-10)13(17)12-8-6-5-7-9-12/h5-9H,2H2,1,3-4H3
InChIKey ACSCPINKFVPQDK-UHFFFAOYSA-N
Molecular Weight 228.295 g/mol
SMILES C1(=NN(C(C1(C)C)=C)C(=O)c1ccccc1)C
SPLASH splash10-0a4i-0940000000-de5258767143fbca6a68
Source of Spectrum Y-20-850-6
Synonyms phenyl-(3,4,4-trimethyl-5-methylene-2-pyrazolin-1-yl)methanone phenyl-(3,4,4-trimethyl-5-methylene-pyrazol-1-yl)methanone phenyl-(3,4,4-trimethyl-5-methylidene-pyrazol-1-yl)methanone
Wiley ID 1229955