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5-Benzoyl-1,3-di(p-toluoyl)benzene
SpectraBase Compound ID 62Zfb6Tr2Zg
InChI InChI=1S/C29H22O3/c1-19-8-12-22(13-9-19)28(31)25-16-24(27(30)21-6-4-3-5-7-21)17-26(18-25)29(32)23-14-10-20(2)11-15-23/h3-18H,1-2H3
InChIKey WEJGTZOHTWKGLE-UHFFFAOYSA-N
Mol Weight 418.49 g/mol
Molecular Formula C29H22O3
Exact Mass 418.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kbbeljn2DNg
Name 5-Benzoyl-1,3-di(p-toluoyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.156894565 u
Formula C29H22O3
InChI InChI=1S/C29H22O3/c1-19-8-12-22(13-9-19)28(31)25-16-24(27(30)21-6-4-3-5-7-21)17-26(18-25)29(32)23-14-10-20(2)11-15-23/h3-18H,1-2H3
InChIKey WEJGTZOHTWKGLE-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1021/jo301979p
Molecular Weight 418.492 g/mol
Quality 210
SMILES C1(=CC=CC=C1)C(=O)C=1C=C(C=C(C1)C(C1=CC=C(C=C1)C)=O)C(C1=CC=C(C)C=C1)=O
SPLASH splash10-014i-6901200000-fbfbbb34088eec832b4f
Source of Spectrum JOC-78-SM5-PhTol2 (DOI: 10.1021/jo301979p)
Wiley ID 1912353