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n-Butyl 3-(2-(diphenylphosphoryl)phenyl)propanoate

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

n-Butyl 3-(2-(diphenylphosphoryl)phenyl)propanoate
SpectraBase Compound ID LdkvDK5Ktnb
InChI InChI=1S/C25H27O3P/c1-2-3-20-28-25(26)19-18-21-12-10-11-17-24(21)29(27,22-13-6-4-7-14-22)23-15-8-5-9-16-23/h4-17H,2-3,18-20H2,1H3
InChIKey HZTVFNNASMMSJY-UHFFFAOYSA-N
Mol Weight 406.46 g/mol
Molecular Formula C25H27O3P
Exact Mass 406.169782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8lBWrtribrD
Name N-Butyl 3-(2-(diphenylphosphoryl)phenyl)propanoate
Comments Computed using HOSE algorithm
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Exact Mass 406.169781724 u
Formula C25H27O3P
InChI InChI=1S/C25H27O3P/c1-2-3-20-28-25(26)19-18-21-12-10-11-17-24(21)29(27,22-13-6-4-7-14-22)23-15-8-5-9-16-23/h4-17H,2-3,18-20H2,1H3
InChIKey HZTVFNNASMMSJY-UHFFFAOYSA-N
Molecular Weight 406.462 g/mol
SMILES C1(P(=O)(C2=C(C=CC=C2)CCC(OCCCC)=O)C2=CC=CC=C2)=CC=CC=C1