4-Pentyn-1-ol(5390-04-5) 1H NMR
Product Name4-Pentyn-1-ol
CAS5390-04-5
Molecular FormulaC5H8O
Molecular Weight84.12
InChIInChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2
InChIKey CRWVOXFUXPYTRK-UHFFFAOYSA-N
SmilesC(O)CCC#C
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MassMS-NW-5404 4-pentyn-1-ol C5H8O (Mass of molecular ion: 84)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.1 15.0 4.2 18.0 3.6 19.0 5.7 25.0 1.0 26.0 7.1 27.0 55.0 28.0 18.4 29.0 15.9 30.0 1.6 31.0 42.6 37.0 5.6 38.0 11.4 39.0 78.8 40.0 36.1 41.0 32.3 42.0 10.9 43.0 30.4 44.0 33.7 45.0 17.5 49.0 3.0 50.0 12.5 51.0 16.3 52.0 8.3 53.0 37.9 54.0 14.8 55.0 34.3 56.0 14.1 57.0 6.1 58.0 1.6 61.0 1.6 62.0 1.9 63.0 2.8 64.0 1.1 65.0 25.5 66.0 100.0 67.0 7.8 69.0 34.6 70.0 1.9 81.0 1.2 83.0 28.9 84.0 6.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H8 O 0.05 ml : 0.5 ml CDCl3 4-pentyn-1-ol 
Assign. Shift(ppm)
A 3.722 B 3.16 C 2.304 D 2.002 E 1.769
Hz ppm Int.1493.90 3.739 572 1487.67 3.723 1000 1481.32 3.707 580 1263.79 3.163 179 929.44 2.326 307 926.88 2.320 313 922.49 2.309 593 919.80 2.302 595 915.41 2.291 336 912.72 2.284 346 802.73 2.009 407 800.05 2.002 685 797.36 1.996 359 719.60 1.801 177 718.02 1.797 39 717.29 1.795 40 713.26 1.785 437 706.42 1.768 627 700.07 1.752 392 693.12 1.735 147
in CDCl3
liquid film
4880 A,200 M,liquid
