2-Butanone, 4-propoxy- (7CI,9CI)(89975-71-3) 1H NMR
Product Name2-Butanone, 4-propoxy- (7CI,9CI)
CAS89975-71-3
Molecular FormulaC7H14O2
Molecular Weight130.18486
InChIInChI=1S/C7H14O2/c1-3-5-9-6-4-7(2)8/h3-6H2,1-2H3
InChIKey CTGMQDUXYKIIBU-UHFFFAOYSA-N
SmilesCC(=O)CCOCCC
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MassMS-NW-7077 4-propoxy-2-butanone C7H14O2 (Mass of molecular ion: 130)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 5.1 18.0 1.9 26.0 1.4 27.0 10.5 28.0 4.2 29.0 3.6 31.0 9.6 39.0 3.7 41.0 9.6 42.0 4.4 43.0 100.0 44.0 3.2 45.0 2.5 55.0 8.2 57.0 5.1 58.0 3.8 59.0 4.1 60.0 1.7 61.0 3.5 70.0 3.7 71.0 23.0 72.0 19.2 73.0 8.3 87.0 7.9 89.0 5.0 101.0 2.6 115.0 2.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H14 O2 0.05 ml : 0.5 ml DMSO-d6 4-propoxy-2-butanone 
Assign. Shift(ppm)
A 3.576 B 3.306 C 2.626 D 2.100 E 1.473 F 0.842
Hz ppm Int.1435.30 3.592 202 1429.08 3.576 387 1422.85 3.561 203 1327.76 3.323 182 1321.29 3.307 359 1314.70 3.290 189 1055.79 2.642 139 1049.44 2.626 267 1043.21 2.611 136 839.48 2.101 1000 833.74 2.087 40 601.56 1.506 81 594.97 1.489 159 587.52 1.471 166 580.93 1.454 97 573.36 1.435 52 343.87 0.861 335 336.43 0.842 616 328.98 0.824 288
in CDCl3
in DMSO-d6
liquid film
4880 A,200 M,liquid
