2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile(58632-95-4) IR1
Product Name2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile
CAS58632-95-4
Molecular FormulaC13H14N2O3
Molecular Weight246.26
InChIInChI=1S/C13H14N2O3/c1-13(2,3)17-12(16)18-15-11(9-14)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKey QQWYQAQQADNEIC-UHFFFAOYSA-N
SmilesC(OC(C)(C)C)(=O)ON=C(C#N)C1=CC=CC=C1
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MassMS-NW-9750 2-(tert-butoxycarbonyloxyimino)-2-phenylacetonitrile C13H14N2O3 (Mass of molecular ion: 246)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
27.0 3.9 28.0 4.3 29.0 7.6 38.0 1.8 39.0 10.4 40.0 2.4 41.0 34.6 42.0 1.4 43.0 2.5 44.0 21.0 50.0 4.9 51.0 10.3 52.0 1.5 53.0 1.6 55.0 5.7 56.0 15.7 57.0 100.0 58.0 5.1 59.0 2.0 62.0 1.5 63.0 2.3 64.0 1.3 65.0 1.7 75.0 1.6 76.0 4.2 77.0 27.8 78.0 3.4 88.0 2.0 89.0 23.5 90.0 2.3 102.0 1.0 103.0 9.5 104.0 1.6 114.0 1.6 115.0 2.5 116.0 33.4 117.0 3.2 119.0 2.6 129.0 18.4 130.0 3.9 146.0 28.2 147.0 4.9 202.0 1.0 231.0 2.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C13 H14 N2 O3 0.038 g : 0.5 ml CDCl3 2-(tert-butoxycarbonyloxyimino)-2-phenylacetonitrile 
Assign. Shift(ppm)
A 7.94 B 7.61 to 7.38 C 1.603
Hz ppm Int.717.13 8.008 36 715.31 7.987 39 712.19 7.953 25 711.88 7.949 25 710.06 7.929 38 708.56 7.912 25 707.38 7.899 59 679.19 7.584 25 676.31 7.552 82 674.81 7.535 72 673.88 7.525 47 672.00 7.504 28 670.56 7.488 28 669.50 7.476 31 668.94 7.470 39 143.63 1.604 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
