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(+/-)-DIMETHYL-[1-HYDROXY-3-(PARA-TOLYL)-BUTYL]-PHOSPHONATE
SpectraBase Compound ID Lcg9bYsMdMD
InChI InChI=1S/2C13H21O4P/c2*1-10-5-7-12(8-6-10)11(2)9-13(14)18(15,16-3)17-4/h2*5-8,11,13-14H,9H2,1-4H3
InChIKey BFWGYFZJRGQQGI-UHFFFAOYSA-N
Mol Weight 544.56 g/mol
Molecular Formula C26H42O8P2
Exact Mass 544.235492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dp6ZJgvefax
Name (+/-)-DIMETHYL-[1-HYDROXY-3-(PARA-TOLYL)-BUTYL]-PHOSPHONATE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H42O8P2
InChI InChI=1S/2C13H21O4P/c2*1-10-5-7-12(8-6-10)11(2)9-13(14)18(15,16-3)17-4/h2*5-8,11,13-14H,9H2,1-4H3
InChIKey BFWGYFZJRGQQGI-UHFFFAOYSA-N
Literature Reference Author B.J.ROWE,C.D.SPILLING
Literature Reference Citation J.ORG.CHEM.,68,9502(2003)
Literature Reference DOI 10.1021/jo0351318
Molecular Weight 544.562 g/mol
Solvent CDCl3
Source File Reference UWSI21278