5-HEXYN-3-OL(19780-84-8) MS
Product Name5-HEXYN-3-OL
CAS19780-84-8
Molecular FormulaC6H10O
Molecular Weight98.14
InChIInChI=1S/C6H10O/c1-3-5-6(7)4-2/h1,6-7H,4-5H2,2H3
InChIKey AJYGRAORQSCNED-UHFFFAOYSA-N
SmilesCCC(O)CC#C
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MassMS-NW-1218 5-hexyn-3-ol C6H10O (Mass of molecular ion: 98)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.9 18.0 1.6 26.0 1.5 27.0 8.1 28.0 3.8 29.0 10.9 31.0 50.4 37.0 1.4 38.0 3.1 39.0 18.2 40.0 7.4 41.0 37.5 42.0 1.6 43.0 5.1 50.0 1.3 51.0 1.7 53.0 1.8 57.0 6.1 58.0 1.7 59.0 100.0 60.0 3.4 69.0 8.0 79.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H10 O 0.04 ml : 0.5 ml CDCl3 5-hexyn-3-ol 
Assign. Shift(ppm)
A 3.70 B *1 2.390 C *1 2.324 D 2.24 E 2.057 F 1.58 G 0.97 TWO PROTONES OF (F) ARE NOT EQUIVALENT.
Hz ppm Int.343.06 3.831 49 336.75 3.761 125 331.06 3.697 176 325.56 3.636 131 323.19 3.609 33 319.25 3.565 74 218.00 2.435 307 216.63 2.419 316 215.50 2.407 388 213.88 2.389 381 212.81 2.377 320 210.31 2.349 577 207.56 2.318 337 206.00 2.301 51 205.56 2.296 46 204.94 2.289 41 200.19 2.236 385 197.25 2.203 85 193.69 2.163 38 190.88 2.132 39 186.63 2.084 464 184.06 2.056 683 181.31 2.025 340 157.69 1.761 53 156.19 1.744 55 151.88 1.696 55 151.00 1.687 69 149.44 1.669 237 148.81 1.662 196 147.25 1.645 35 145.44 1.624 62 143.50 1.603 233 141.69 1.583 356 139.75 1.561 41 137.75 1.539 77 135.31 1.511 339 134.25 1.499 142 128.56 1.436 143 94.13 1.052 316 93.31 1.042 569 92.69 1.035 390 89.25 0.997 39 88.31 0.987 62 86.44 0.966 1000 85.69 0.957 596 81.75 0.913 38 79.50 0.888 186 78.69 0.879 313 77.50 0.866 193
in CDCl3
CCl4 solution
liquid film
4880 A,150M,liquid
