Tetrahydrolinalool(78-69-3) MS
Product NameTetrahydrolinalool
CAS78-69-3
Molecular FormulaC10H22O
Molecular Weight158.28
InChIInChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3
InChIKey DLHQZZUEERVIGQ-UHFFFAOYSA-N
SmilesCCC(C)(O)CCCC(C)C
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MassMS-NW-7073 3,7-dimethyl-3-octanol C10H22O (Mass of molecular ion: 158)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 5.2 28.0 2.7 29.0 7.0 31.0 2.2 39.0 3.5 41.0 11.3 42.0 2.1 43.0 15.9 45.0 5.6 53.0 1.2 55.0 26.7 56.0 3.0 57.0 5.1 58.0 2.3 59.0 1.9 69.0 47.2 70.0 7.9 71.0 2.9 72.0 2.6 73.0 100.0 74.0 4.6 83.0 4.5 84.0 1.0 85.0 1.3 111.0 9.6 112.0 1.0 125.0 1.3 129.0 7.1 143.0 2.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H22 O 0.05 ml : 0.5 ml CDCl3 3,7-dimethyl-3-octanol 
Assign. Shift(ppm)
A 1.551 B 1.481 C 1.42 D 1.41 E 1.32 F 1.17 G 1.141 J 0.890 K 0.879 ASSIGNED BY C-H COSY
Hz ppm Int.633.91 1.587 30 627.20 1.570 63 620.61 1.553 81 613.89 1.537 71 607.18 1.520 42 604.00 1.512 67 596.44 1.493 212 588.87 1.474 239 581.42 1.455 95 573.00 1.434 60 570.68 1.428 71 567.02 1.419 306 562.87 1.409 84 558.84 1.399 72 555.79 1.391 172 550.29 1.377 30 541.63 1.356 44 540.53 1.353 43 538.21 1.347 35 533.57 1.336 72 530.40 1.328 57 528.81 1.324 57 525.63 1.316 73 524.90 1.314 75 522.95 1.309 62 520.87 1.304 46 518.80 1.299 43 517.70 1.296 49 515.87 1.291 47 513.31 1.285 30 508.91 1.274 33 478.39 1.198 87 471.92 1.181 128 470.09 1.177 95 468.14 1.172 56 464.23 1.162 104 463.26 1.160 110 461.43 1.155 46 456.05 1.142 815 363.28 0.909 299 360.72 0.903 45 355.71 0.891 784 354.86 0.888 978 348.27 0.872 1000
in CDCl3
liquid film
4880 A,200 M,liquid
