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n-Butyl 3-(2-(benzyl(phenyl)phosphoryl)phenyl)propanoate

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

n-Butyl 3-(2-(benzyl(phenyl)phosphoryl)phenyl)propanoate
SpectraBase Compound ID AzCjtecsPpX
InChI InChI=1S/C26H29O3P/c1-2-3-20-29-26(27)19-18-23-14-10-11-17-25(23)30(28,24-15-8-5-9-16-24)21-22-12-6-4-7-13-22/h4-17H,2-3,18-21H2,1H3
InChIKey BAXIJOQQLFAHAX-UHFFFAOYSA-N
Mol Weight 420.49 g/mol
Molecular Formula C26H29O3P
Exact Mass 420.185432 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4AGgQLcxcGo
Name N-Butyl 3-(2-(benzyl(phenyl)phosphoryl)phenyl)propanoate
Comments Computed using HOSE algorithm
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Exact Mass 420.185431789 u
Formula C26H29O3P
InChI InChI=1S/C26H29O3P/c1-2-3-20-29-26(27)19-18-23-14-10-11-17-25(23)30(28,24-15-8-5-9-16-24)21-22-12-6-4-7-13-22/h4-17H,2-3,18-21H2,1H3
InChIKey BAXIJOQQLFAHAX-UHFFFAOYSA-N
Molecular Weight 420.489 g/mol
SMILES C(P(=O)(C1=C(C=CC=C1)CCC(OCCCC)=O)C1=CC=CC=C1)C1=CC=CC=C1