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Methoxycarbonylmethyltriphenylphosphonium benzoate
SpectraBase Compound ID EX0DiU9sOiW
InChI InChI=1S/C28H25O4P/c1-31-27(29)22-33(24-16-8-3-9-17-24,25-18-10-4-11-19-25,26-20-12-5-13-21-26)32-28(30)23-14-6-2-7-15-23/h2-21H,22H2,1H3
InChIKey ZBJWRRXPMPOCCO-UHFFFAOYSA-N
Mol Weight 456.48 g/mol
Molecular Formula C28H25O4P
Exact Mass 456.149046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Im4oEzJHLxG
Name Methoxycarbonylmethyltriphenylphosphonium benzoate
Alternate Name(s) methyl[(benzoyloxy)(triphenyl)phosphoranyl]acetate
Comments Less than 3 mono-isotopic peaks
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Formula C28H25O4P
InChI InChI=1S/C28H25O4P/c1-31-27(29)22-33(24-16-8-3-9-17-24,25-18-10-4-11-19-25,26-20-12-5-13-21-26)32-28(30)23-14-6-2-7-15-23/h2-21H,22H2,1H3
InChIKey ZBJWRRXPMPOCCO-UHFFFAOYSA-N
Molecular Weight 456.478 g/mol
SMILES c1(P(c2ccccc2)(c2ccccc2)(CC(=O)OC)OC(c2ccccc2)=O)ccccc1
SPLASH splash10-001i-0609000000-aa7b429e9d8791d25bb9
Source of Spectrum F-56-7899-2
Wiley ID 858779