2-CHLORO-4-METHOXYPHENOL(18113-03-6) MS
Product Name2-CHLORO-4-METHOXYPHENOL
CAS18113-03-6
Molecular FormulaC7H7ClO2
Molecular Weight158.58
InChIInChI=1S/C7H7ClO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
InChIKey GNVRRKLFFYSLGT-UHFFFAOYSA-N
SmilesC1(O)=CC=C(OC)C=C1Cl
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MassMS-IW-9532 2-chloro-4-methoxyphenol C7H7ClO2 (Mass of molecular ion: 158)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.5 26.0 2.5 27.0 1.0 28.0 2.7 29.0 1.5 36.0 1.3 37.0 1.5 38.0 1.9 39.0 3.0 49.0 1.2 50.0 3.8 51.0 16.9 52.0 5.3 53.0 16.0 54.0 3.1 55.0 2.0 60.0 1.8 61.0 2.9 62.0 4.5 63.0 7.5 64.0 1.9 65.0 2.9 73.0 3.0 74.0 1.0 75.0 1.4 79.0 22.4 80.0 2.3 86.0 1.0 87.0 2.8 89.0 1.3 91.0 1.7 99.0 2.5 107.0 39.2 108.0 4.0 115.0 5.7 117.0 1.9 128.0 1.1 129.0 1.8 143.0 100.0 144.0 7.0 145.0 32.5 146.0 2.2 157.0 2.2 158.0 74.4 159.0 6.7 160.0 24.3 161.0 1.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H7 Cl O2 0.040 g : 0.5 ml CDCl3 2-chloro-4-methoxyphenol 
Assign. Shift(ppm)
A 6.932 B 6.876 C 6.751 D 5.29 E 3.746
Hz ppm Int.2775.51 6.945 181 2766.60 6.923 228 2749.76 6.881 180 2746.83 6.874 198 2703.61 6.765 117 2700.68 6.758 103 2694.70 6.743 92 2691.77 6.736 83 2112.79 5.287 310 1497.31 3.747 1000
in CDCl3
KBr disc
nujol mull
