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1-Pentanone, 4-methyl-1-(4-methylphenyl)-4-nitro-3-phenyl-
SpectraBase Compound ID EBeZCA1QIIs
InChI InChI=1S/C19H21NO3/c1-14-9-11-16(12-10-14)18(21)13-17(19(2,3)20(22)23)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3
InChIKey BLBKHHZRGXMKTB-UHFFFAOYSA-N
Mol Weight 311.38 g/mol
Molecular Formula C19H21NO3
Exact Mass 311.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AImBvsxrFZM
Name 1-Pentanone, 4-methyl-1-(4-methylphenyl)-4-nitro-3-phenyl-
Alternate Name(s) 4-Methyl-1-(4-methylphenyl)-4-nitro-3-phenyl-1-pentanone 4-Methyl-4-nitro-3-phenyl-1-(p-tolyl)pentan-1-one
CAS Registry Number 116509-24-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO3
InChI InChI=1S/C19H21NO3/c1-14-9-11-16(12-10-14)18(21)13-17(19(2,3)20(22)23)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3
InChIKey BLBKHHZRGXMKTB-UHFFFAOYSA-N
Molecular Weight 311.381 g/mol
SMILES C(N(=O)=O)(C(CC(c1ccc(cc1)C)=O)c1ccccc1)(C)C
SPLASH splash10-014i-1910000000-3173154146fc671538ef
Source of Spectrum B-41-190-3
Wiley ID 1312576