1-Octyn-3-ol(818-72-4) Raman
Product Name1-Octyn-3-ol
CAS818-72-4
Molecular FormulaC8H14O
Molecular Weight126.2
InChIInChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3
InChIKey VUGRNZHKYVHZSN-UHFFFAOYSA-N
SmilesC#CC(O)CCCCC
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MassMS-NW-6624 1-octyn-3-ol C8H14O (Mass of molecular ion: 126)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.6 18.0 3.2 26.0 5.1 27.0 25.4 28.0 3.2 29.0 27.4 31.0 1.6 38.0 2.1 39.0 18.2 40.0 4.1 41.0 40.9 42.0 11.7 43.0 100.0 44.0 5.8 45.0 1.8 50.0 2.0 51.0 3.9 52.0 3.3 53.0 7.5 54.0 2.7 55.0 67.1 56.0 18.9 57.0 9.0 58.0 1.3 63.0 1.0 65.0 2.9 66.0 3.4 67.0 9.9 68.0 9.3 69.0 8.1 70.0 37.9 71.0 21.2 72.0 2.8 77.0 5.4 78.0 1.7 79.0 18.2 80.0 4.4 81.0 3.4 82.0 3.8 83.0 21.5 84.0 5.8 91.0 3.3 93.0 15.5 94.0 1.3 95.0 2.2 96.0 1.0 97.0 7.3 98.0 1.1 107.0 1.5 111.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H14 O 0.05 ml : 0.5 ml CDCl3 1-octyn-3-ol 
Assign. Shift(ppm)
A 4.370 B 3.3 C 2.466 D 1.71 E 1.457 F 1.32 G 0.899
Hz ppm Int.1754.27 4.390 135 1752.20 4.385 140 1747.56 4.373 248 1745.48 4.368 259 1740.84 4.356 135 1738.77 4.351 137 1303.96 3.263 71 986.45 2.469 690 984.74 2.465 586 984.38 2.464 715 698.00 1.747 130 691.28 1.730 206 689.94 1.727 164 684.33 1.713 319 681.88 1.707 202 677.25 1.695 315 675.42 1.691 197 672.49 1.683 81 670.17 1.677 167 664.06 1.662 78 597.78 1.496 81 590.70 1.479 191 588.50 1.473 144 583.37 1.460 222 576.42 1.443 155 574.95 1.439 175 567.87 1.421 95 546.14 1.367 84 542.48 1.358 126 536.74 1.344 216 533.08 1.334 416 531.62 1.331 376 529.42 1.325 638 527.34 1.320 446 525.88 1.316 639 522.22 1.307 439 518.68 1.298 226 517.46 1.295 187 514.04 1.287 126 509.16 1.275 74 366.09 0.917 440 360.35 0.902 518 359.01 0.899 1000 352.05 0.881 426
in CDCl3
liquid film
