Product Name3-Methyl-1-pentyn-3-ol
CAS77-75-8
Molecular FormulaC6H10O
Molecular Weight98.14
InChIInChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3
InChIKey QXLPXWSKPNOQLE-UHFFFAOYSA-N
SmilesC#CC(C)(O)CC
Mass
MS-NW-1325 3-methyl-1-pentyn-3-ol C6H10O (Mass of molecular ion: 98)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.7 26.0 1.9 27.0 8.9 28.0 1.7 29.0 8.7 38.0 1.4 39.0 9.6 40.0 1.5 41.0 5.0 42.0 1.0 43.0 40.3 44.0 1.1 50.0 2.5 51.0 3.9 52.0 1.4 53.0 4.9 55.0 9.3 65.0 1.3 68.0 1.9 69.0 100.0 70.0 4.6 77.0 1.1 79.0 3.3 83.0 25.4 84.0 1.5 97.0 1.3
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C6 H10 O | 0.04 ml : 0.5 ml CDCl3 |
3-methyl-1-pentyn-3-ol |
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Assign. Shift(ppm) |
Hz ppm Int.
218.19 2.437 422 199.75 2.231 163 157.00 1.754 93 156.19 1.744 85 150.88 1.685 43 150.25 1.678 48 149.19 1.666 183 142.75 1.594 57 142.00 1.586 55 133.13 1.487 1000 131.19 1.465 42 101.38 1.132 86 100.63 1.124 160 100.00 1.117 110 93.75 1.047 341 93.00 1.039 178 86.81 0.970 57 85.94 0.960 97 84.88 0.948 53
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
3-Methyl-1-pentyn-3-ol(77-75-8) MS Atlas of Related Products
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