3-chloro-5-methoxyphenol(65262-96-6) IR2
Product Name3-chloro-5-methoxyphenol
CAS65262-96-6
Molecular FormulaC7H7ClO2
Molecular Weight158.58
InChIInChI=1S/C7H7ClO2/c1-10-7-3-5(8)2-6(9)4-7/h2-4,9H,1H3
InChIKey LZVYZZFCAMPFOQ-UHFFFAOYSA-N
SmilesC1(O)=CC(OC)=CC(Cl)=C1
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MassMS-NW-7105 3-chloro-5-methoxyphenol C7H7ClO2 (Mass of molecular ion: 158)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 3.0 18.0 1.0 26.0 1.2 27.0 1.7 28.0 2.9 29.0 2.7 36.0 1.0 37.0 3.3 38.0 6.0 39.0 6.2 41.0 1.7 42.0 1.1 43.0 1.4 49.0 1.6 50.0 6.0 51.0 22.0 52.0 3.7 53.0 5.2 55.0 2.5 60.0 1.3 61.0 4.5 62.0 6.3 63.0 11.4 64.0 7.2 65.0 17.6 66.0 2.5 67.0 1.8 69.0 16.4 73.0 5.8 74.0 1.5 75.0 2.0 77.0 2.9 79.0 8.0 80.0 1.7 86.0 1.6 87.0 9.5 88.0 1.2 89.0 4.2 92.0 2.9 93.0 10.8 94.0 4.4 95.0 9.6 99.0 4.7 100.0 7.6 101.0 2.1 102.0 2.7 108.0 2.8 114.0 1.6 115.0 14.9 116.0 1.4 117.0 5.0 123.0 1.2 127.0 2.6 128.0 55.0 129.0 27.4 130.0 19.8 131.0 8.7 157.0 4.2 158.0 100.0 159.0 8.9 160.0 32.0 161.0 2.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H7 Cl O2 0.040 g : 0.5 ml CDCl3 3-chloro-5-methoxyphenol 
Assign. Shift(ppm)
A *1 6.506 B *1 6.457 C 6.294 D 5.29 E 3.761
Hz ppm Int.2602.42 6.512 108 2600.59 6.508 146 2598.51 6.502 124 2582.64 6.463 141 2580.93 6.458 145 2580.44 6.457 167 2578.74 6.453 123 2517.21 6.299 124 2515.01 6.294 215 2512.70 6.288 107 2112.43 5.286 229 1503.05 3.761 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
