1,4-Bis(2-hydroxyethoxy)-2-butyne(1606-85-5) 13C NMR
Product Name1,4-Bis(2-hydroxyethoxy)-2-butyne
CAS1606-85-5
Molecular FormulaC8H14O4
Molecular Weight174.19
InChIInChI=1S/C8H14O4/c9-3-7-11-5-1-2-6-12-8-4-10/h9-10H,3-8H2
InChIKey IXAWTPMDMPUGLV-UHFFFAOYSA-N
SmilesC(OCCO)C#CCOCCO
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MassMS-NW-1094 1,4-bis(2-hydroxyethoxy)-2-butyne C8H14O4 (Mass of molecular ion: 174)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 1.4 15.0 7.4 17.0 1.9 18.0 9.1 19.0 7.5 26.0 4.4 27.0 22.3 28.0 13.8 29.0 24.3 30.0 2.7 31.0 48.6 32.0 2.6 33.0 5.1 37.0 1.5 38.0 3.6 39.0 34.2 40.0 7.3 41.0 85.5 42.0 5.2 43.0 21.9 44.0 13.0 45.0 91.8 46.0 2.3 50.0 5.5 51.0 12.5 52.0 83.4 53.0 14.8 54.0 4.4 55.0 17.7 56.0 7.5 57.0 9.0 58.0 2.4 59.0 1.2 61.0 3.7 63.0 1.1 65.0 1.3 66.0 1.6 67.0 1.7 68.0 25.1 69.0 100.0 70.0 18.1 71.0 25.1 72.0 1.2 73.0 3.7 75.0 5.5 81.0 3.0 82.0 2.6 83.0 2.8 84.0 2.0 85.0 1.6 86.0 1.9 87.0 1.6 88.0 1.1 89.0 2.0 99.0 7.1 112.0 22.7 113.0 4.0 114.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H14 O4 0.04 ml : 0.5 ml CDCl3 1,4-bis(2-hydroxyethoxy)-2-butyne 
Assign. Shift(ppm)
A 4.255 B 3.90 to 3.52 C 3.2
Hz ppm Int.384.88 4.298 25 383.50 4.283 65 381.06 4.255 1000 343.25 3.833 35 341.00 3.808 53 339.94 3.796 63 339.00 3.786 46 336.88 3.762 102 336.13 3.754 111 333.50 3.724 253 331.06 3.697 274 329.25 3.677 239 326.88 3.650 150 326.13 3.642 102 325.06 3.630 101 323.00 3.607 54 321.88 3.595 52 319.94 3.573 31 287.81 3.214 48
in CDCl3
liquid film
