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4-Methyl-5-nitro-1,1,1-triphenyl-pentan-2-one
SpectraBase Compound ID Er3htVcthwO
InChI InChI=1S/C24H23NO3/c1-19(18-25(27)28)17-23(26)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3
InChIKey YRDZRURGQZTJBT-UHFFFAOYSA-N
Mol Weight 373.45 g/mol
Molecular Formula C24H23NO3
Exact Mass 373.167794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQMvXElzWPZ
Name 4-Methyl-5-nitro-1,1,1-triphenyl-pentan-2-one
Comments Computed using HOSE algorithm
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Exact Mass 373.167793602 u
Formula C24H23NO3
InChI InChI=1S/C24H23NO3/c1-19(18-25(27)28)17-23(26)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3
InChIKey YRDZRURGQZTJBT-UHFFFAOYSA-N
Molecular Weight 373.452 g/mol
SMILES C1=CC=C(C=C1)C(C(=O)CC(C)CN(=O)=O)(C=1C=CC=CC1)C1=CC=CC=C1