3-BROMOMETHYL-7-METHOXY-1,4-BENZOXAZIN-2-ONE(124522-09-4) IR1
Product Name3-BROMOMETHYL-7-METHOXY-1,4-BENZOXAZIN-2-ONE
CAS124522-09-4
Molecular FormulaC10H8BrNO3
Molecular Weight270.08
InChIInChI=1S/C10H8BrNO3/c1-14-6-2-3-7-9(4-6)15-10(13)8(5-11)12-7/h2-4H,5H2,1H3
InChIKey XFCZURAACWKKIH-UHFFFAOYSA-N
SmilesO1C2=CC(OC)=CC=C2N=C(CBr)C1=O
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MassMS-IW-4842 3-bromomethyl-7-methoxy-1,4-benzoxazin-2-one C10H8BrNO3 (Mass of molecular ion: 269)
Source Temperature: 150 °C Sample Temperature: 130 °C Direct, 75 eV
38.0 1.1 39.0 1.6 50.0 1.4 51.0 4.7 52.0 1.7 62.0 1.1 63.0 2.7 64.0 1.7 65.0 1.3 69.0 1.2 76.0 1.5 77.0 1.6 79.0 4.4 91.0 3.4 103.0 1.0 106.0 1.4 107.0 1.3 119.0 4.2 120.5 1.2 121.5 1.2 132.0 1.3 134.0 6.2 147.0 4.5 148.0 3.2 162.0 60.9 163.0 8.1 190.0 100.0 191.0 14.7 192.0 1.6 269.0 10.6 270.0 1.3 271.0 10.5 272.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H8 Br N O3 0.039 g : 0.5 ml CDCl3 3-bromomethyl-7-methoxy-1,4-benzoxazin-2-one 
Assign. Shift(ppm)
A 7.663 B 6.946 C 6.781 D 4.539 E 3.904
Hz ppm Int.3067.26 7.675 171 3058.35 7.653 183 2781.98 6.962 108 2779.30 6.955 115 2773.07 6.939 102 2770.39 6.933 111 2711.55 6.785 172 2708.86 6.779 158 1814.09 4.540 753 1560.55 3.905 1000
KBr disc
nujol mull
