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3,6,6-trimethyl-2-phenyl-1-(2'-pyridyl)hepta-1,5-dione
SpectraBase Compound ID EhvoIOnXodz
InChI InChI=1S/C21H25NO2/c1-15(14-18(23)21(2,3)4)19(16-10-6-5-7-11-16)20(24)17-12-8-9-13-22-17/h5-13,15,19H,14H2,1-4H3
InChIKey KODSTLLORQWJIF-UHFFFAOYSA-N
Mol Weight 323.44 g/mol
Molecular Formula C21H25NO2
Exact Mass 323.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7mIfKRAfstI
Name 3,6,6-trimethyl-2-phenyl-1-(2'-pyridyl)hepta-1,5-dione
Alternate Name(s) 3,6,6-trimethyl-2-phenyl-1-(pyridin-2-yl)heptane-1,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO2
InChI InChI=1S/C21H25NO2/c1-15(14-18(23)21(2,3)4)19(16-10-6-5-7-11-16)20(24)17-12-8-9-13-22-17/h5-13,15,19H,14H2,1-4H3
InChIKey KODSTLLORQWJIF-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4cc00931b
Molecular Weight 323.436 g/mol
SMILES c1cc(C(C(c2ccccc2)C(CC(=O)C(C)(C)C)C)=O)ncc1
SPLASH splash10-0a4i-9231000000-fffa8becd0ae41ba2bdc
Source of Spectrum KD-50-5970/SMS10-3h
Wiley ID 1754496