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n-Butyl 3-(2-(di-p-tolylphosphoryl)-5-methylphenyl)propanoate
SpectraBase Compound ID IySRsXYh2SL
InChI InChI=1S/C28H33O3P/c1-5-6-19-31-28(29)18-12-24-20-23(4)11-17-27(24)32(30,25-13-7-21(2)8-14-25)26-15-9-22(3)10-16-26/h7-11,13-17,20H,5-6,12,18-19H2,1-4H3
InChIKey NJIIGJZMIPXGGQ-UHFFFAOYSA-N
Mol Weight 448.5 g/mol
Molecular Formula C28H33O3P
Exact Mass 448.216732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IsItgJzPQh
Name n-Butyl 3-(2-(di-p-tolylphosphoryl)-5-methylphenyl)propanoate
Alternate Name(s) Butyl 3-(2-(di-p-tolylphosphoryl)-5-methylphenyl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H33O3P
InChI InChI=1S/C28H33O3P/c1-5-6-19-31-28(29)18-12-24-20-23(4)11-17-27(24)32(30,25-13-7-21(2)8-14-25)26-15-9-22(3)10-16-26/h7-11,13-17,20H,5-6,12,18-19H2,1-4H3
InChIKey NJIIGJZMIPXGGQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cctc.201700557
Molecular Weight 448.543 g/mol
SMILES c1(P(=O)(c2c(cc(cc2)C)CCC(OCCCC)=O)c2ccc(cc2)C)ccc(cc1)C
SPLASH splash10-0002-0019400000-f6b89236f813015c42dc
Source of Spectrum CCC-9-3117/SM4-3ba
Wiley ID 1808088