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Butylphosphonic acid, heptyl 4-(2-phenylprop-2-yl)phenyl ester
SpectraBase Compound ID 98RgwC5r4Ri
InChI InChI=1S/C26H39O3P/c1-5-7-9-10-14-21-28-30(27,22-8-6-2)29-25-19-17-24(18-20-25)26(3,4)23-15-12-11-13-16-23/h11-13,15-20H,5-10,14,21-22H2,1-4H3
InChIKey DKZNAUVTRBDFQF-UHFFFAOYSA-N
Mol Weight 430.6 g/mol
Molecular Formula C26H39O3P
Exact Mass 430.263682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gY7qVANHP2
Name Butylphosphonic acid, heptyl 4-(2-phenylprop-2-yl)phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.263682111 u
Formula C26H39O3P
InChI InChI=1S/C26H39O3P/c1-5-7-9-10-14-21-28-30(27,22-8-6-2)29-25-19-17-24(18-20-25)26(3,4)23-15-12-11-13-16-23/h11-13,15-20H,5-10,14,21-22H2,1-4H3
InChIKey DKZNAUVTRBDFQF-UHFFFAOYSA-N
Molecular Weight 430.569 g/mol
SMILES C(CCOP(CCCC)(=O)OC1=CC=C(C(C2=CC=CC=C2)(C)C)C=C1)CCCC