TRANS-2-UNDECEN-1-OL(75039-84-8) MS
Product NameTRANS-2-UNDECEN-1-OL
CAS75039-84-8
Molecular FormulaC11H22O
Molecular Weight170.29
InChIInChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-10,12H,2-8,11H2,1H3/b10-9+
InChIKey SKBIQKQBLQHOSU-MDZDMXLPSA-N
SmilesC(O)/C=C/CCCCCCCC
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MassMS-IW-6650 trans-2-undecen-1-ol C11H22O (Mass of molecular ion: 170)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.8 27.0 14.2 28.0 3.8 29.0 23.9 31.0 4.6 39.0 12.3 40.0 2.3 41.0 50.7 42.0 14.3 43.0 57.4 44.0 12.3 45.0 3.9 51.0 1.1 53.0 6.4 54.0 33.1 55.0 51.9 56.0 28.8 57.0 100.0 58.0 8.4 59.0 1.0 65.0 2.0 66.0 5.5 67.0 42.2 68.0 45.5 69.0 33.6 70.0 21.0 71.0 22.5 72.0 6.8 73.0 1.5 77.0 1.5 79.0 4.3 80.0 2.2 81.0 36.4 82.0 49.9 83.0 20.8 84.0 9.1 85.0 7.5 86.0 1.5 94.0 1.2 95.0 27.2 96.0 25.3 97.0 11.1 98.0 5.4 99.0 2.6 109.0 12.0 110.0 10.0 111.0 2.6 113.0 1.1 123.0 4.9 124.0 7.3 126.0 1.7 152.0 9.2 153.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H22 O 0.05 ml : 0.5 ml CDCl3 trans-2-undecen-1-ol 
Assign. Shift(ppm)
A 5.67 B 5.63 C 4.062 D 2.42 E 2.032 F 1.37 G 1.30 J 1.27 K 0.880
Hz ppm Int.2285.89 5.720 34 2279.66 5.705 59 2273.80 5.690 34 2270.63 5.682 78 2264.28 5.666 179 2258.42 5.651 141 2255.62 5.644 147 2250.37 5.631 188 2249.39 5.629 94 2245.61 5.619 54 2244.75 5.617 82 2243.53 5.614 42 2234.99 5.593 62 2234.01 5.590 38 2229.37 5.579 35 1628.05 4.074 169 1626.95 4.071 331 1626.10 4.069 305 1621.34 4.057 360 1620.61 4.056 352 968.51 2.424 58 822.39 2.058 82 815.92 2.042 192 808.59 2.024 192 802.12 2.008 83 554.81 1.389 90 552.98 1.384 82 547.85 1.371 135 540.89 1.354 114 534.30 1.337 78 533.20 1.335 75 527.34 1.320 117 520.02 1.302 250 507.08 1.269 1000 358.89 0.899 279 352.17 0.882 794 345.09 0.864 325
in CDCl3
liquid film
