DIETHOXYMETHANE(462-95-3) IR2
Product NameDIETHOXYMETHANE
CAS462-95-3
Molecular FormulaC5H12O2
Molecular Weight104.15
InChIInChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3
InChIKey KLKFAASOGCDTDT-UHFFFAOYSA-N
SmilesC(OCC)OCC
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MassMS-KW-0251 formaldehyde diethyl acetal C5H12O2 (Mass of molecular ion: 104)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 3.1 18.0 1.4 19.0 1.7 26.0 5.9 27.0 16.1 28.0 13.0 29.0 33.7 30.0 4.7 31.0 91.6 32.0 1.2 41.0 6.0 42.0 1.0 43.0 4.6 44.0 3.6 45.0 15.7 46.0 1.0 47.0 16.3 58.0 9.0 59.0 100.0 60.0 4.3 61.0 1.1 75.0 6.8 89.0 4.0 103.0 39.4 104.0 2.2
90 MHz in CDCl3
400 MHz in CDCl3
parameter in CDCl3
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1H NMR 89.56 MHz C5 H12 O2 0.04 ml : 0.5 ml CDCl3 formaldehyde diethyl acetal 
Assign. Shift(ppm)
A 4.678 B 3.599 C 1.225
Hz ppm Int.419.00 4.679 613 333.31 3.722 104 326.19 3.643 374 319.06 3.563 394 312.13 3.486 126 116.44 1.301 456 109.44 1.222 1000 107.25 1.198 24 102.31 1.143 388
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1H NMR 399.65 MHz C5H12O2 0.05 ml : 0.5 ml CDCl3 formaldehyde diethyl acetal Assign. Shift(ppm)
A 4.673 B 3.598 C 1.220
Hz ppm Int.1867.80 4.673 774 1448.61 3.624 315 1441.53 3.606 672 1434.45 3.589 666 1427.37 3.571 304 494.27 1.237 752 487.31 1.219 1000 480.11 1.201 702
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1H NMR 300 MHz C5 H12 O2 5 vol% in TMS formaldehyde diethyl acetal Parameter ppm Hz
D(A) 4.548 D(B) 3.52 D(C) 1.13 J(B,C) 7.07 FRANKISS,S.G. J.PHYS.CHEM. 67, 752 (1963) J(C-13,A):161.1HZ. J(C-13,B):140.5HZ. J(C-13,C):126.0HZ.
Hz ppm Int.1364.39 4.548 670 1066.68 3.556 162 1059.59 3.532 487 1052.52 3.508 500 1045.46 3.485 172 346.03 1.153 508 339.00 1.130 1000 331.91 1.106 485
in CDCl3
CCl4 solution
liquid film
