4-(CHLOROMETHYL)-3,5-DIMETHYLISOXAZOLE(19788-37-5) IR1
Product Name4-(CHLOROMETHYL)-3,5-DIMETHYLISOXAZOLE
CAS19788-37-5
Molecular FormulaC6H8ClNO
Molecular Weight145.59
InChIInChI=1S/C6H8ClNO/c1-4-6(3-7)5(2)9-8-4/h3H2,1-2H3
InChIKey NIFAUKBQIAURIM-UHFFFAOYSA-N
SmilesO1C(C)=C(CCl)C(C)=N1
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MassMS-NW-9776 4-chloromethyl-3,5-dimethylisoxazole C6H8ClNO (Mass of molecular ion: 145)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 4.0 26.0 1.8 27.0 1.9 36.0 1.0 38.0 1.2 39.0 3.5 40.0 1.7 41.0 3.6 42.0 12.9 43.0 38.7 51.0 1.8 52.0 2.1 53.0 2.0 54.0 1.6 66.0 4.6 67.0 2.5 68.0 59.1 69.0 5.7 76.0 1.0 110.0 100.0 111.0 7.1 145.0 15.9 146.0 1.7 147.0 5.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H8 Cl N O 0.05 ml : 0.5 ml CDCl3 4-chloromethyl-3,5-dimethylisoxazole 
Assign. Shift(ppm)
A 4.401 B 2.395 C 2.297
Hz ppm Int.1758.88 4.402 704 957.49 2.396 908 918.27 2.298 1000
in CDCl3
liquid film
