4-ETHOXYMETHYLENE-2-PHENYL-2-OXAZOLIN-5-ONE(15646-46-5) IR2
Product Name4-ETHOXYMETHYLENE-2-PHENYL-2-OXAZOLIN-5-ONE
CAS15646-46-5
Molecular FormulaC12H11NO3
Molecular Weight217.22
InChIInChI=1S/C12H11NO3/c1-2-15-8-10-12(14)16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey SJHPCNCNNSSLPL-UHFFFAOYSA-N
SmilesO1C(=O)C(=COCC)N=C1C1=CC=CC=C1
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MassMS-IW-2292 4-ethoxymethylene-2-phenyl-2-oxazolin-5-one C12H11NO3 (Mass of molecular ion: 217)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
27.0 1.7 29.0 2.0 50.0 2.8 51.0 10.0 76.0 2.4 77.0 38.4 78.0 2.7 103.0 1.3 104.0 3.8 105.0 100.0 106.0 8.0 161.0 1.3 174.0 1.1 189.0 17.9 190.0 2.0 217.0 32.6 218.0 4.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H11 N O3 0.042 g : 0.5 ml CDCl3 4-ethoxymethylene-2-phenyl-2-oxazolin-5-one 
Assign. Shift(ppm)
A 8.055 B 7.53 C 7.45 D 7.344 E 4.436 F 1.485 J(E,F)=7.2HZ.
Hz ppm Int.727.25 8.121 186 725.19 8.098 197 723.69 8.081 58 722.75 8.071 76 722.13 8.064 135 721.06 8.052 102 720.38 8.044 151 719.63 8.036 115 718.13 8.019 109 717.38 8.011 279 715.50 7.990 42 677.69 7.567 53 676.06 7.549 80 675.31 7.541 69 673.00 7.515 390 671.31 7.496 355 668.31 7.463 147 667.63 7.455 135 666.69 7.445 119 665.88 7.436 188 662.63 7.399 49 661.13 7.382 65 657.75 7.345 604 408.31 4.560 112 401.19 4.480 373 394.06 4.400 388 387.00 4.322 137 139.88 1.562 476 132.81 1.483 1000 125.69 1.404 422
KBr disc
nujol mull
