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2-Octanone, 4-methyl-1,1,1-triphenyl-

View entire compound with spectra: 1 NMR, and 2 MS (GC)

2-Octanone, 4-methyl-1,1,1-triphenyl-
SpectraBase Compound ID GiP5XHc7Fyw
InChI InChI=1S/C27H30O/c1-3-4-14-22(2)21-26(28)27(23-15-8-5-9-16-23,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h5-13,15-20,22H,3-4,14,21H2,1-2H3
InChIKey UKHVXXZKOCZQMB-UHFFFAOYSA-N
Mol Weight 370.54 g/mol
Molecular Formula C27H30O
Exact Mass 370.229666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FiznZAcHmHk
Name 2-Octanone, 4-methyl-1,1,1-triphenyl-
Comments Computed using HOSE algorithm
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Exact Mass 370.229665585 u
Formula C27H30O
InChI InChI=1S/C27H30O/c1-3-4-14-22(2)21-26(28)27(23-15-8-5-9-16-23,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h5-13,15-20,22H,3-4,14,21H2,1-2H3
InChIKey UKHVXXZKOCZQMB-UHFFFAOYSA-N
Molecular Weight 370.536 g/mol
SMILES C1=CC=C(C=C1)C(C(=O)CC(C)CCCC)(C=1C=CC=CC1)C1=CC=CC=C1