Product NameDiethylene glycol monomethyl ether
CAS111-77-3
Molecular FormulaC5H12O3
Molecular Weight120.15
InChIInChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3
InChIKey SBASXUCJHJRPEV-UHFFFAOYSA-N
SmilesC(O)COCCOC
Mass
MS-NW-5525 3,6-dioxa-1-heptanol C5H12O3 (Mass of molecular ion: 120)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 10.1 19.0 3.2 26.0 1.3 27.0 7.1 28.0 5.3 29.0 12.5 31.0 20.5 33.0 1.7 42.0 1.3 43.0 10.4 44.0 4.7 45.0 100.0 46.0 2.5 58.0 22.3 59.0 46.1 60.0 5.8 75.0 11.2 87.0 1.8 89.0 12.4 90.0 14.5
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C5 H12 O3 | 0.04 ml : 0.5 ml CDCl3 |
3,6-dioxa-1-heptanol |
Assign. Shift(ppm) |
Hz ppm Int.
338.44 3.779 31 337.06 3.764 34 335.25 3.744 44 334.38 3.734 65 333.25 3.721 61 331.75 3.705 74 331.00 3.696 122 330.25 3.688 150 327.75 3.660 62 326.44 3.645 190 325.69 3.637 138 325.13 3.631 176 324.50 3.624 159 323.50 3.613 88 322.50 3.601 183 322.00 3.596 148 320.69 3.581 88 319.38 3.567 63 318.31 3.555 42 317.44 3.545 41 315.13 3.519 36 303.94 3.394 1000 280.56 3.133 303
in CDCl3
CCl4 solution
liquid film
4880 A,150M,liquid
Diethylene glycol monomethyl ether(111-77-3) Raman Atlas of Related Products
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