Product NameTriethylene glycol
CAS112-27-6
Molecular FormulaC6H14O4
Molecular Weight150.17
InChIInChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
InChIKey ZIBGPFATKBEMQZ-UHFFFAOYSA-N
SmilesC(OCCO)COCCO
Mass
MS-NW-5541 3,6-dioxa-1,8-octanediol C6H14O4 (Mass of molecular ion: 150)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 2.8 18.0 1.0 19.0 3.6 27.0 6.1 28.0 5.5 29.0 5.8 31.0 8.2 43.0 6.2 44.0 8.4 45.0 100.0 46.0 2.4 58.0 11.7 59.0 4.7 75.0 8.5 87.0 3.6 88.0 2.8 89.0 13.1 90.0 4.0 101.0 1.1 102.0 1.0 119.0 2.2
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C6 H14 O4 | 0.05 ml : 0.5 ml CDCl3 |
3,6-dioxa-1,8-octanediol |
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Assign. Shift(ppm) |
Hz ppm Int.
1603.39 4.012 122 1490.36 3.730 208 1486.57 3.720 217 1467.65 3.673 1000 1462.52 3.660 53 1458.74 3.651 30 1450.93 3.631 32 1444.58 3.615 409 1442.99 3.611 173 1441.16 3.607 258 1439.58 3.603 383 1437.50 3.597 153 1435.30 3.592 306 1429.81 3.578 28 1428.34 3.574 26
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
Triethylene glycol(112-27-6) 1H NMR Atlas of Related Products