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Molecular FormulaC12H9O3PS

Molecular Weight264.236821

InChIInChI=1S/C12H9O3PS/c17-16(10-4-1-7-13-10,11-5-2-8-14-11)12-6-3-9-15-12/h1-9H

InChIKey ASCWOIKGCOBHEJ-UHFFFAOYSA-N

SmilesP(=S)(C1=CC=CO1)(C1=CC=CO1)C1=CC=CO1



  •     Parameter     ppm  Hz
    D(A) 7.690 D(B) 6.495 D(C) 7.150 J(A,B) 1.710 J(A,C) 0.771 J(A,X) 2.459 J(B,C) 3.459 J(B,X) 1.696 J(C,X) 2.439 JAKOBSEN,H.J. & NIELSEN,J.AA. J.MOL.SPECTROSC. 33, 474 (1970)
    Spectral Code: 1H NMR : parameter in CDCl3

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