2,5-DIOXAHEXANEDIOIC ACID DIETHYL ESTER(35466-87-6) MS
Product Name2,5-DIOXAHEXANEDIOIC ACID DIETHYL ESTER
CAS35466-87-6
Molecular FormulaC8H14O6
Molecular Weight206.19
InChIInChI=1S/C8H14O6/c1-3-11-7(9)13-5-6-14-8(10)12-4-2/h3-6H2,1-2H3
InChIKey MYNUAGYBVSQRFN-UHFFFAOYSA-N
SmilesC(=O)(OCC)OCCOC(=O)OCC
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MassMS-IW-8357 diethyl 2,5-dioxahexanedioate C8H14O6 (Mass of molecular ion: 206)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 5.1 18.0 2.4 19.0 3.3 26.0 8.2 27.0 23.5 28.0 28.3 29.0 84.9 30.0 3.7 31.0 72.6 32.0 5.3 33.0 1.2 41.0 4.1 42.0 2.5 43.0 24.4 44.0 88.3 45.0 100.0 46.0 5.2 47.0 2.4 57.0 2.1 58.0 1.0 59.0 14.1 61.0 5.8 63.0 69.0 72.0 7.6 73.0 2.1 74.0 1.0 75.0 1.0 76.0 22.6 77.0 3.1 88.0 9.3 89.0 64.7 90.0 2.8 91.0 75.1 92.0 2.6 104.0 10.7 105.0 1.8 116.0 12.9 117.0 17.8 118.0 2.6 119.0 3.5
parameter in CDCl3
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1H NMR 300 MHz C8 H14 O6 0.05 ml : 0.5 ml CDCl3 diethyl 2,5-dioxahexanedioate 
Parameter ppm Hz
D(A) 4.359 D(B) 4.212 D(C) 1.314 J(B,C) 7.20
Hz ppm Int.1307.69 4.359 1000 1274.46 4.248 122 1267.25 4.224 367 1260.06 4.200 375 1252.87 4.176 127 401.37 1.338 379 394.18 1.314 747 387.00 1.290 367
in CDCl3
liquid film
