6258-66-8

4-Chlorobenzyl mercaptan(6258-66-8) IR1

Product Name4-Chlorobenzyl mercaptan

CAS 6258-66-8

Molecular FormulaC7H7ClS

Molecular Weight158.65

InChIInChI=1S/C7H7ClS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

InChIKey GKQXPTHQTXCXEV-UHFFFAOYSA-N

SmilesC1(CS)=CC=C(Cl)C=C1

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4-Chlorobenzyl mercaptan(6258-66-8) IR1

    Assign.     Shift(ppm)

      A             7.24
      B             3.676
      C             1.742

Spectral Code: 1H NMR : 90 MHz in CDCl3

4-Chlorobenzyl mercaptan(6258-66-8) IR1

       ppm   Int.  Assign.

      139.53   228      1
      132.66   199      2
      129.34  1000      3
      128.67   971      4
       28.21   544      5

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : liquid film

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