Product NameBETA-RHODINOL
CAS7540-51-4
Molecular FormulaC10H20O
Molecular Weight156.27
InChIInChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1
InChIKey QMVPMAAFGQKVCJ-JTQLQIEISA-N
SmilesC(O)C[C@@H](C)CC/C=C(/C)\C
Mass
MS-IW-9087 (S)-(-)-3,7-dimethyl-6-octen-1-ol C10H20O (Mass of molecular ion: 156)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
17.0 2.8 18.0 14.3 27.0 15.6 28.0 7.0 29.0 15.8 31.0 8.5 39.0 19.4 40.0 4.4 41.0 90.9 42.0 9.0 43.0 23.3 44.0 1.8 45.0 2.7 51.0 3.4 52.0 1.9 53.0 14.1 54.0 6.3 55.0 67.5 56.0 30.3 57.0 15.1 58.0 1.4 63.0 1.0 65.0 4.1 66.0 2.2 67.0 69.9 68.0 40.1 69.0 92.6 70.0 17.5 71.0 22.1 72.0 1.5 77.0 6.3 78.0 1.3 79.0 11.1 80.0 6.6 81.0 93.9 82.0 59.8 83.0 17.1 84.0 3.0 85.0 3.0 86.0 2.2 91.0 5.3 92.0 1.0 93.0 6.7 94.0 7.7 95.0 100.0 96.0 23.3 97.0 2.9 99.0 1.3 105.0 1.5 107.0 2.2 109.0 25.9 110.0 6.0 111.0 1.7 112.0 1.4 119.0 3.2 121.0 2.5 123.0 37.4 124.0 3.7 134.0 1.3 136.0 1.2 137.0 1.0 138.0 33.3 139.0 4.1 156.0 4.8
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C10 H20 O | 0.05 ml : 0.5 ml CDCl3 |
(S)-(-)-3,7-dimethyl-6-octen-1-ol |
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Assign. Shift(ppm) |
Hz ppm Int.
1473.39 3.687 153 1470.46 3.680 86 1467.65 3.673 207 1465.94 3.669 247 1459.84 3.653 246 1459.11 3.651 222 1458.50 3.650 226 1451.66 3.633 184 837.89 2.097 105 672.36 1.683 854 671.14 1.680 830 660.64 1.654 58 655.27 1.640 66 653.69 1.636 67 653.08 1.635 63 647.71 1.621 119 646.00 1.617 85 640.87 1.604 1000 635.50 1.591 179 631.35 1.580 86 628.66 1.574 143 622.31 1.558 101 615.84 1.541 73 614.87 1.539 66 567.87 1.421 57 561.77 1.406 52 560.18 1.402 104 554.81 1.389 132 552.86 1.384 93 548.95 1.374 114 547.36 1.370 138 545.41 1.365 69 543.33 1.360 75 541.63 1.356 147 540.16 1.352 96 539.06 1.349 77 536.50 1.343 81 535.16 1.340 91 533.69 1.336 67 532.10 1.332 82 529.91 1.326 77 527.95 1.322 85 526.98 1.319 73 525.63 1.316 67 520.39 1.303 54 487.30 1.220 56 481.20 1.205 64 479.61 1.201 70 477.91 1.196 67 473.63 1.186 90 471.80 1.181 70 470.34 1.177 74 468.02 1.172 52 466.31 1.167 55 464.36 1.162 88 460.33 1.152 47 458.50 1.148 44 456.91 1.144 46 364.50 0.913 971 357.91 0.896 934 352.17 0.882 43
in CDCl3
liquid film
BETA-RHODINOL(7540-51-4) Raman Atlas of Related Products
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