PROPARGYLALDEHYDE DIETHYL ACETAL(10160-87-9) MS
Product NamePROPARGYLALDEHYDE DIETHYL ACETAL
CAS10160-87-9
Molecular FormulaC7H12O2
Molecular Weight128.17
InChIInChI=1S/C7H12O2/c1-4-7(8-5-2)9-6-3/h1,7H,5-6H2,2-3H3
InChIKey RGUXEWWHSQGVRZ-UHFFFAOYSA-N
SmilesC#CC(OCC)OCC
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MassMS-IW-5073 propiolaldehyde diethyl acetal C7H12O2 (Mass of molecular ion: 128)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 2.4 27.0 8.5 28.0 3.8 29.0 12.1 31.0 4.6 38.0 1.9 39.0 2.3 43.0 3.0 45.0 5.6 47.0 1.0 53.0 5.0 54.0 1.4 55.0 84.3 56.0 4.2 69.0 2.5 71.0 4.9 83.0 100.0 84.0 6.3 99.0 1.7 127.0 2.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H12 O2 0.05 ml : 0.5 ml CDCl3 propiolaldehyde diethyl acetal 
Assign. Shift(ppm)
A 5.260 B 3.753 C 3.599 D 2.588 E 1.239 J(A,D)=1.8HZ
Hz ppm Int.2103.03 5.263 272 2101.20 5.258 263 1516.11 3.794 72 1509.03 3.776 209 1506.71 3.771 100 1501.95 3.759 218 1499.63 3.753 263 1494.87 3.741 85 1492.43 3.735 263 1485.35 3.717 100 1453.25 3.637 96 1446.17 3.619 270 1443.85 3.613 77 1439.09 3.601 276 1436.77 3.596 208 1432.01 3.584 106 1429.69 3.578 209 1422.61 3.560 76 1035.28 2.591 386 1033.45 2.586 376 502.20 1.257 719 499.51 1.250 43 495.12 1.239 1000 487.92 1.221 698
in CDCl3
liquid film
