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Acetonyltriphenylphosphonium benzoate
SpectraBase Compound ID KTMLXsZN3B3
InChI InChI=1S/C28H25O3P/c1-23(29)22-32(25-16-8-3-9-17-25,26-18-10-4-11-19-26,27-20-12-5-13-21-27)31-28(30)24-14-6-2-7-15-24/h2-21H,22H2,1H3
InChIKey HTOVYMFYEYPQRW-UHFFFAOYSA-N
Mol Weight 440.48 g/mol
Molecular Formula C28H25O3P
Exact Mass 440.154132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90jiIsVdnv7
Name Acetonyltriphenylphosphonium benzoate
Alternate Name(s) 1-[(Benzoyloxy)(triphenyl)phosphoranyl]acetone
Comments Less than 3 mono-isotopic peaks
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Formula C28H25O3P
InChI InChI=1S/C28H25O3P/c1-23(29)22-32(25-16-8-3-9-17-25,26-18-10-4-11-19-26,27-20-12-5-13-21-27)31-28(30)24-14-6-2-7-15-24/h2-21H,22H2,1H3
InChIKey HTOVYMFYEYPQRW-UHFFFAOYSA-N
Molecular Weight 440.479 g/mol
SMILES c1(P(c2ccccc2)(c2ccccc2)(CC(=O)C)OC(c2ccccc2)=O)ccccc1
SPLASH splash10-0udi-0009000000-51f93080b113cb3cadb3
Source of Spectrum F-56-7900-4
Wiley ID 858772