TRIFLUOROACETALDEHYDE METHYL HEMIACETAL(431-46-9) MS
Product NameTRIFLUOROACETALDEHYDE METHYL HEMIACETAL
CAS431-46-9
Molecular FormulaC3H5F3O2
Molecular Weight130.07
InChIInChI=1S/C3H5F3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3
InChIKey GWTBCUWZAVMAQV-UHFFFAOYSA-N
SmilesC(O)(OC)C(F)(F)F
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MassMS-IW-8219 2,2,2-trifluoro-1-methoxyethanol C3H5F3O2 (Mass of molecular ion: 130)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
12.0 1.4 13.0 1.1 14.0 1.6 15.0 13.5 17.0 8.1 18.0 41.1 19.0 1.1 28.0 12.0 29.0 100.0 30.0 6.6 31.0 83.2 32.0 56.2 33.0 12.4 35.0 1.4 43.0 1.6 45.0 1.5 47.0 2.2 48.0 1.3 49.0 1.9 50.0 49.7 51.0 88.8 52.0 1.1 59.0 1.6 61.0 15.7 63.0 6.5 69.0 39.9 78.0 2.4 79.0 7.7 80.0 1.4 82.0 1.9 91.0 1.3 98.0 31.8 99.0 5.7 113.0 3.5
400 MHz in D2O
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1H NMR 399.65 MHz C3 H5 F3 O2 0.05 ml : 0.5 ml D2O 2,2,2-trifluoro-1-methoxyethanol 
Assign. Shift(ppm)
A 5.298 B 3.367
Hz ppm Int.2123.54 5.314 88 2119.38 5.304 240 2115.23 5.293 239 2111.08 5.283 89 1345.70 3.368 1000
in D2O
liquid film
