4-(Methylthio)phenol(1073-72-9) IR3
Product Name4-(Methylthio)phenol
CAS1073-72-9
Molecular FormulaC7H8OS
Molecular Weight140.2
InChIInChI=1S/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
InChIKey QASBCTGZKABPKX-UHFFFAOYSA-N
SmilesC1(O)=CC=C(SC)C=C1
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MassMS-NW-4786 p-(methylthio)phenol C7H8OS (Mass of molecular ion: 140)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.4 27.0 2.9 37.0 1.1 38.0 2.4 39.0 11.2 45.0 15.4 47.0 1.4 50.0 1.7 51.0 2.5 53.0 8.4 55.0 1.9 61.0 1.2 62.0 2.1 63.0 5.0 64.0 1.7 65.0 5.7 66.0 1.7 67.0 1.5 69.0 5.8 70.0 4.9 71.0 2.4 77.0 2.6 78.0 1.2 81.0 12.6 85.0 1.4 94.0 4.1 95.0 2.2 96.0 2.4 97.0 18.0 98.0 1.6 107.0 2.4 111.0 1.8 124.0 1.2 125.0 84.9 126.0 6.6 127.0 4.3 139.0 2.5 140.0 100.0 141.0 8.8 142.0 4.8
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C7 H8 O S 0.019 g : 0.5 ml CDCl3 p-(methylthio)phenol 
Assign. Shift(ppm)
A 7.217 B 6.781 C 4.5 D 2.433
Hz ppm Int.651.38 7.274 133 649.56 7.253 74 644.88 7.201 47 642.56 7.175 201 639.69 7.143 25 610.94 6.822 204 608.69 6.797 51 604.38 6.749 41 602.13 6.724 129 217.88 2.433 1000
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1H NMR 399.65 MHz C7 H8 O S 0.017 g : 0.5 ml CDCl3 p-(methylthio)phenol Assign. Shift(ppm)
A 7.222 B 6.787 C 5. D 2.439
Hz ppm Int.2890.99 7.234 172 2888.79 7.229 58 2884.40 7.218 55 2882.20 7.212 189 2879.15 7.205 25 2716.92 6.799 196 2714.72 6.793 61 2710.33 6.782 54 2708.13 6.777 174 2705.08 6.769 22 974.61 2.439 1000 971.07 2.430 31
in CDCl3
CCl4 solution
KBr disc
nujol mull
