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5,5-Dimethyl-2-[(3-methyl-4-phenyl-1H-pyrazol-5-ylamino)methylidene]cyclohexane-1,3-dione
SpectraBase Compound ID 3gtm8crk2R2
InChI InChI=1S/C19H21N3O2/c1-12-17(13-7-5-4-6-8-13)18(22-21-12)20-11-14-15(23)9-19(2,3)10-16(14)24/h4-8,11H,9-10H2,1-3H3,(H2,20,21,22)
InChIKey KTPBZQGFLGDNSX-UHFFFAOYSA-N
Mol Weight 323.4 g/mol
Molecular Formula C19H21N3O2
Exact Mass 323.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9a9GOYlc4wP
Name 5,5-Dimethyl-2-[(3-methyl-4-phenyl-1H-pyrazol-5-ylamino)methylidene]cyclohexane-1,3-dione
Alternate Name(s) 5,5-dimethyl-2-[[(5-methyl-4-phenyl-1H-pyrazol-3-yl)amino]methylene]cyclohexane-1,3-dione 5,5-dimethyl-2-[[(5-methyl-4-phenyl-1H-pyrazol-3-yl)amino]methylidene]cyclohexane-1,3-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21N3O2
InChI InChI=1S/C19H21N3O2/c1-12-17(13-7-5-4-6-8-13)18(22-21-12)20-11-14-15(23)9-19(2,3)10-16(14)24/h4-8,11H,9-10H2,1-3H3,(H2,20,21,22)
InChIKey KTPBZQGFLGDNSX-UHFFFAOYSA-N
Molecular Weight 323.396 g/mol
SMILES N(c1c(c(n[nH]1)C)-c1ccccc1)C=C1C(CC(CC1=O)(C)C)=O
SPLASH splash10-00di-0009000000-28bdc9eb763b21cdd050
Source of Spectrum O1-46-414-4a
Wiley ID 1669171