4-(Chloromethyl)benzoic acid(1642-81-5) IR2
Product Name4-(Chloromethyl)benzoic acid
CAS1642-81-5
Molecular FormulaC8H7ClO2
Molecular Weight170.59
InChIInChI=1S/C8H7ClO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)
InChIKey OITNBJHJJGMFBN-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(CCl)C=C1
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MassMS-IW-2133 p-(chloromethyl)benzoic acid C8H7ClO2 (Mass of molecular ion: 170)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 2.1 38.0 1.3 39.0 4.2 43.0 1.0 44.0 1.3 45.0 1.9 50.0 2.4 51.0 3.2 59.0 1.1 61.0 1.2 62.0 5.3 63.0 8.4 64.0 2.0 65.0 1.6 76.0 2.9 77.0 5.3 79.0 1.1 89.0 11.2 90.0 7.8 91.0 5.9 99.0 1.4 105.0 1.0 107.0 23.0 108.0 1.8 118.0 2.2 125.0 14.1 126.0 1.4 127.0 4.6 135.0 100.0 136.0 9.1 141.0 1.0 153.0 3.5 155.0 1.1 169.0 1.1 170.0 33.5 171.0 3.4 172.0 11.0 173.0 1.0
in DMSO-d6
KBr disc
nujol mull
