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

Mass
MS-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

| 1H NMR | 399.65 MHz |
| C7 H14 O2 | 0.05 ml : 0.5 ml DMSO-d6 |
| 4-propoxy-2-butanone | |
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Assign. Shift(ppm) |
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

2-Butanone, 4-propoxy- (7CI,9CI)(89975-71-3) MS Atlas of Related Products
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