3-Butyn-1-ol(927-74-2) 1H NMR
Product Name3-Butyn-1-ol
CAS927-74-2
Molecular FormulaC4H6O
Molecular Weight70.09
InChIInChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2
InChIKey OTJZCIYGRUNXTP-UHFFFAOYSA-N
SmilesC(O)CC#C
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MassMS-NW-6058 3-butyn-1-ol C4H6O (Mass of molecular ion: 70)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.4 18.0 1.0 26.0 2.2 27.0 7.4 28.0 2.6 29.0 9.0 31.0 40.7 36.0 1.1 37.0 6.0 38.0 8.9 39.0 45.1 40.0 100.0 41.0 14.6 42.0 8.7 43.0 4.4 44.0 1.2 49.0 1.8 50.0 4.9 51.0 5.1 52.0 7.0 53.0 2.3 55.0 4.7 69.0 10.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H6 O 0.05 ml : 0.5 ml CDCl3 3-butyn-1-ol 
Assign. Shift(ppm)
A 3.725 B 3.48 C 2.449 D 2.077
Hz ppm Int.1495.12 3.742 217 1488.77 3.726 381 1482.30 3.709 228 1389.65 3.478 188 986.57 2.469 535 983.89 2.462 560 982.18 2.458 83 980.10 2.453 916 977.42 2.446 941 973.51 2.436 525 970.95 2.430 516 833.01 2.085 618 830.32 2.078 1000 827.64 2.071 576
in CDCl3
liquid film
