3-methylbutyraldehyde oxime(626-90-4) MS
Product Name3-methylbutyraldehyde oxime
CAS626-90-4
Molecular FormulaC5H11NO
Molecular Weight101.15
InChIInChI=1S/C5H11NO/c1-5(2)3-4-6-7/h4-5,7H,3H2,1-2H3
InChIKey JAUPRNSQRRCCRR-UHFFFAOYSA-N
SmilesC(=NO)CC(C)C
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MassMS-NW-1074 isovaleraldehyde oxime C5H11NO (Mass of molecular ion: 101)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 3.1 18.0 3.8 26.0 1.6 27.0 18.1 28.0 7.4 29.0 13.5 30.0 1.3 31.0 2.4 38.0 1.9 39.0 13.8 40.0 3.2 41.0 46.9 42.0 12.4 43.0 54.2 44.0 3.2 45.0 2.3 46.0 3.0 51.0 1.1 53.0 1.5 54.0 3.2 55.0 7.7 56.0 15.0 57.0 3.8 58.0 2.3 59.0 100.0 60.0 4.8 68.0 4.4 69.0 6.2 70.0 3.3 72.0 3.1 73.0 5.7 84.0 2.9 86.0 16.8 87.0 4.2 101.0 1.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H11 N O 0.05 ml : 0.5 ml CDCl3 isovaleraldehyde oxime 
Assign. Shift(ppm)
A 10. B 7.440 C 6.763 D 2.291 E 2.096 F 1.84 G *1 0.97 J *1 0.95
Hz ppm Int.2979.94 7.457 95 2973.34 7.440 191 2966.75 7.424 94 2708.30 6.777 57 2702.80 6.763 112 2697.31 6.750 57 922.06 2.308 150 916.57 2.294 158 914.92 2.290 175 909.42 2.276 156 844.58 2.114 176 837.80 2.097 316 831.03 2.080 194 757.76 1.897 42 753.91 1.887 34 748.24 1.873 58 747.14 1.870 59 742.56 1.859 39 740.36 1.853 64 735.78 1.842 65 733.58 1.836 57 729.00 1.825 74 726.80 1.819 37 722.23 1.808 58 715.63 1.791 30 390.14 0.977 901 383.37 0.960 947 382.45 0.957 1000 378.06 0.946 84 375.67 0.940 882
in CDCl3
liquid film
