Product Name(+)-ISOMENTHOL
CAS23283-97-8
Molecular FormulaC10H20O
Molecular Weight156.27
InChIInChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10+/m1/s1
InChIKey NOOLISFMXDJSKH-BBBLOLIVSA-N
Smiles[C@H]1(O)C[C@H](C)CC[C@@H]1C(C)C
Mass
MS-NW-8935 (+)-isomenthol C10H20O (Mass of molecular ion: 156)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 6.4 28.0 1.4 29.0 8.6 31.0 2.2 39.0 5.7 40.0 1.2 41.0 28.9 42.0 5.1 43.0 25.6 44.0 3.0 45.0 1.9 53.0 5.1 54.0 3.1 55.0 35.0 56.0 18.1 57.0 22.0 58.0 2.6 59.0 1.6 65.0 1.0 67.0 22.1 68.0 11.3 69.0 28.5 70.0 11.2 71.0 100.0 72.0 5.7 73.0 1.2 77.0 1.5 79.0 2.8 80.0 7.0 81.0 56.3 82.0 30.1 83.0 11.7 84.0 3.1 85.0 9.2 86.0 4.3 93.0 2.7 94.0 3.7 95.0 54.6 96.0 17.4 97.0 3.7 99.0 3.9 109.0 9.2 110.0 5.6 111.0 1.5 112.0 2.0 113.0 1.6 123.0 22.3 124.0 2.2 138.0 13.0 139.0 2.5
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C10 H20 O | 0.041 g : 0.5 ml CDCl3 |
(+)-isomenthol |
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Assign. Shift(ppm) |
Hz ppm Int.
1523.32 3.812 35 1519.53 3.803 38 1515.38 3.792 61 1511.60 3.783 61 1507.57 3.773 37 1503.78 3.763 35 797.36 1.996 62 790.65 1.979 93 784.67 1.964 94 778.08 1.947 63 648.93 1.624 30 647.83 1.621 30 642.82 1.609 30 640.75 1.604 46 639.77 1.601 47 636.96 1.594 47 635.99 1.592 50 634.77 1.589 51 633.79 1.586 47 630.74 1.579 47 629.88 1.577 51 626.71 1.569 45 623.66 1.561 31 619.87 1.552 49 614.75 1.539 52 613.28 1.535 53 609.50 1.526 140 607.06 1.519 139 604.98 1.514 106 601.20 1.505 79 596.44 1.493 87 591.67 1.481 45 588.01 1.472 47 583.50 1.461 45 582.28 1.457 33 578.25 1.447 55 574.10 1.437 48 565.67 1.416 50 562.26 1.407 35 558.23 1.397 45 555.91 1.391 36 550.42 1.378 44 546.88 1.369 51 537.84 1.346 47 533.81 1.336 46 528.93 1.324 33 527.83 1.321 31 525.88 1.316 41 524.29 1.312 38 523.44 1.310 44 520.39 1.303 32 516.72 1.293 32 514.65 1.288 31 513.67 1.286 30 466.31 1.167 31 464.72 1.163 35 462.16 1.157 40 460.82 1.154 36 458.01 1.147 46 454.47 1.138 33 452.76 1.133 38 374.39 0.937 904 367.43 0.920 1000 348.51 0.873 605 341.67 0.855 587
in CDCl3
KBr disc
nujol mull
(+)-ISOMENTHOL(23283-97-8) 13C NMR Atlas of Related Products
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