Product NameTRIMETHYLENE OXIDE
CAS503-30-0
Molecular FormulaC3H6O
Molecular Weight58.08
InChIInChI=1S/C3H6O/c1-2-4-3-1/h1-3H2
InChIKey AHHWIHXENZJRFG-UHFFFAOYSA-N
SmilesO1CCC1
Mass
MS-NW-4391 oxetane C3H6O (Mass of molecular ion: 58)
Source Temperature: 230 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 1.3 15.0 1.1 17.0 3.8 18.0 16.2 25.0 1.1 26.0 12.5 27.0 20.4 28.0 100.0 29.0 17.9 30.0 4.6 31.0 9.0 38.0 1.0 39.0 1.4 43.0 1.0 57.0 9.4 58.0 45.5 59.0 1.8
90 MHz in CDCl3
parameter neat
1H NMR | 89.56 MHz |
C3 H6 O | 0.02 ml : 0.5 ml CDCl3 |
oxetane |
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Assign. Shift(ppm) |
Hz ppm Int.
433.56 4.842 428 431.56 4.819 30 425.94 4.756 1000 418.25 4.671 537 257.38 2.874 62 256.75 2.867 63 249.56 2.787 332 241.69 2.699 313 234.38 2.618 161 233.75 2.610 182 226.50 2.530 48 225.94 2.523 45
1H NMR | 300 MHz |
C3 H6 O | neat |
oxetane |
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Parameter ppm Hz |
Hz ppm Int.
1393.71 4.646 563 1386.07 4.620 1000 1378.41 4.595 592 801.20 2.671 75 793.54 2.645 268 785.90 2.620 337 778.20 2.594 229 770.62 2.569 68
in CDCl3
TRIMETHYLENE OXIDE(503-30-0) 1H NMR Atlas of Related Products
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