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1-(1,3-dimethyl-5-phenyl-4-pyrazolyl)ethanone
SpectraBase Compound ID 2foB7JyHL0n
InChI InChI=1S/C13H14N2O/c1-9-12(10(2)16)13(15(3)14-9)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKey VAIVARXZCVVRNE-UHFFFAOYSA-N
Mol Weight 214.27 g/mol
Molecular Formula C13H14N2O
Exact Mass 214.110613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOtkN9af7rq
Name 1-(1,3-dimethyl-5-phenyl-4-pyrazolyl)ethanone
Alternate Name(s) 1-(1,3-dimethyl-5-phenyl-pyrazol-4-yl)ethanone
CAS Registry Number 77435-41-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O
InChI InChI=1S/C13H14N2O/c1-9-12(10(2)16)13(15(3)14-9)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKey VAIVARXZCVVRNE-UHFFFAOYSA-N
Molecular Weight 214.268 g/mol
SMILES c1(c([n](C)nc1C)-c1ccccc1)C(=O)C
SPLASH splash10-0002-0930000000-0ee9dcedcb8a5d03db18
Source of Spectrum Y-38-119-7
Wiley ID 848187