4-AMINOBUTYRALDEHYDE DIMETHYL ACETAL(19060-15-2) MS
Product Name4-AMINOBUTYRALDEHYDE DIMETHYL ACETAL
CAS19060-15-2
Molecular FormulaC6H15NO2
Molecular Weight133.19
InChIInChI=1S/C6H15NO2/c1-8-6(9-2)4-3-5-7/h6H,3-5,7H2,1-2H3
InChIKey TYVAXMOICMBSMT-UHFFFAOYSA-N
SmilesC(N)CCC(OC)OC
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MassMS-IW-8662 4,4-dimethoxybutylamine C6H15NO2 (Mass of molecular ion: 133)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 1.4 15.0 9.6 18.0 3.4 26.0 1.9 27.0 7.7 28.0 18.0 29.0 22.3 30.0 57.7 31.0 53.4 32.0 34.7 33.0 2.1 37.0 1.5 38.0 2.5 39.0 13.4 40.0 7.0 41.0 77.4 42.0 38.3 43.0 100.0 44.0 6.0 45.0 9.4 47.0 15.6 53.0 6.5 54.0 3.1 55.0 25.6 56.0 3.8 57.0 7.1 58.0 3.2 59.0 2.8 67.0 1.4 68.0 29.9 69.0 47.1 70.0 40.2 71.0 14.8 72.0 31.9 73.0 7.3 75.0 91.7 76.0 3.3 85.0 32.1 86.0 3.8 100.0 2.4 101.0 18.9 102.0 7.0 118.0 2.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H15 N O2 0.05 ml : 0.5 ml CDCl3 4,4-dimethoxybutylamine 
Assign. Shift(ppm)
A 4.375 B 3.318 C 2.709 D 1.634 E 1.497 F 1.21
Hz ppm Int.1754.39 4.390 87 1748.78 4.376 164 1743.04 4.362 85 1326.05 3.319 1000 1089.60 2.727 121 1082.64 2.709 194 1075.44 2.691 128 665.04 1.665 44 664.18 1.662 40 658.20 1.647 90 652.34 1.633 75 651.12 1.630 53 648.68 1.624 107 643.55 1.611 83 643.07 1.610 81 612.43 1.533 41 611.82 1.531 40 607.18 1.520 36 604.74 1.514 79 603.27 1.510 46 600.46 1.503 48 597.17 1.495 82 596.19 1.492 70 593.14 1.485 32 590.33 1.478 59 588.87 1.474 59 485.47 1.215 83
in CDCl3
liquid film
