4-CHLOROBENZYL MERCAPTAN(6258-66-8) IR1
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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Assign. Shift(ppm)
A 7.24
B 3.676
C 1.742
Spectral Code: 1H NMR : 90 MHz in CDCl3
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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
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Spectral Code: IR : liquid film