Product Name4-Chloro-2-methylphenol
CAS1570-64-5
Molecular FormulaC7H7ClO
Molecular Weight142.58
InChIInChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKey RHPUJHQBPORFGV-UHFFFAOYSA-N
SmilesC1(O)=CC=C(Cl)C=C1C
Mass
MS-NW-1833 4-chloro-o-cresol C7H7ClO (Mass of molecular ion: 142)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 1.3 27.0 5.4 29.0 1.3 37.0 2.6 38.0 6.0 38.5 1.4 39.0 11.7 43.0 1.5 44.0 1.5 49.0 1.3 50.0 8.3 51.0 19.4 52.0 5.3 53.0 8.3 55.0 1.5 61.0 1.9 62.0 3.0 63.0 5.8 71.0 2.5 72.0 1.0 73.0 3.1 74.0 3.0 75.0 3.1 76.0 1.1 77.0 41.9 78.0 8.1 79.0 17.4 80.0 1.2 87.0 1.1 89.0 11.8 90.0 1.0 105.0 1.1 107.0 95.8 108.0 7.5 113.0 3.2 115.0 1.1 124.0 3.6 125.0 1.4 126.0 1.2 141.0 12.2 142.0 100.0 143.0 11.1 144.0 32.2 145.0 2.4
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C7 H7 Cl O | 0.044 g : 0.5 ml CDCl3 |
4-chloro-o-cresol |
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Assign. Shift(ppm) |
Hz ppm Int.
636.75 7.110 41 635.94 7.101 76 635.00 7.091 99 634.19 7.082 235 633.44 7.073 314 632.63 7.064 204 625.75 6.987 141 625.13 6.981 142 623.13 6.958 96 622.56 6.952 95 603.31 6.737 32 601.31 6.715 156 600.94 6.710 171 600.44 6.705 167 592.94 6.621 97 592.50 6.616 110 428.94 4.790 280 197.38 2.204 1000
in CDCl3
KBr disc
nujol mull
4880 A,100M,powder
4-Chloro-2-methylphenol(1570-64-5) MS Atlas of Related Products
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