1,3-Bis(4,5-dihydro-2-oxazolyl)benzene(34052-90-9) MS
Product Name1,3-Bis(4,5-dihydro-2-oxazolyl)benzene
CAS34052-90-9
Molecular FormulaC12H12N2O2
Molecular Weight216.24
InChIInChI=1S/C12H12N2O2/c1-2-9(11-13-4-6-15-11)8-10(3-1)12-14-5-7-16-12/h1-3,8H,4-7H2
InChIKey HMOZDINWBHMBSQ-UHFFFAOYSA-N
SmilesC1(C2=NCCO2)=CC=CC(C2=NCCO2)=C1
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MassMS-IW-4199 2,2'-(m-phenylene)bis(2-oxazoline) C12H12N2O2 (Mass of molecular ion: 216)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
50.0 1.1 51.0 1.7 58.0 1.8 63.0 1.5 64.0 1.3 65.0 1.2 72.0 1.7 75.0 3.0 76.0 2.2 77.0 2.4 78.0 19.0 78.5 3.2 89.0 6.9 90.0 2.5 91.0 1.5 93.0 1.9 102.0 2.6 103.0 1.5 115.0 1.7 116.0 13.5 117.0 2.1 130.0 1.4 142.0 1.6 143.0 1.5 144.0 12.3 145.0 1.5 146.0 4.0 156.0 1.2 174.0 9.6 175.0 1.1 186.0 100.0 187.0 14.6 188.0 1.3 215.0 5.5 216.0 86.1 217.0 12.3 218.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H12 N2 O2 0.033 g : 0.5 ml CDCl3 2,2'-(m-phenylene)bis(2-oxazoline) 
Assign. Shift(ppm)
A 8.491 B 8.074 C 7.469 D 4.440 E 4.072
Hz ppm Int.3395.02 8.495 169 3393.43 8.492 305 3391.72 8.487 171 3231.93 8.087 382 3230.22 8.083 364 3224.12 8.068 404 3222.41 8.064 391 2992.55 7.488 165 2984.74 7.469 289 2976.93 7.449 145 1783.94 4.464 434 1783.33 4.463 409 1773.93 4.439 1000 1767.09 4.422 45 1764.65 4.416 662 1636.11 4.094 612 1633.42 4.088 37 1626.59 4.071 936 1620.12 4.054 30 1617.07 4.047 406
in CDCl3
KBr disc
nujol mull
