TRANS-3-HEXEN-1-OL(928-97-2) 1H NMR
Product NameTRANS-3-HEXEN-1-OL
CAS928-97-2
Molecular FormulaC6H12O
Molecular Weight100.16
InChIInChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3+
InChIKey UFLHIIWVXFIJGU-ONEGZZNKSA-N
SmilesC(O)C/C=C/CC
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MassMS-NW-8553 trans-3-hexen-1-ol C6H12O (Mass of molecular ion: 100)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
26.0 1.2 27.0 14.0 28.0 2.8 29.0 12.5 31.0 18.2 38.0 1.7 39.0 19.8 40.0 3.4 41.0 100.0 42.0 22.2 43.0 6.9 44.0 6.3 45.0 1.9 50.0 1.5 51.0 2.4 52.0 1.0 53.0 8.8 54.0 7.9 55.0 37.5 56.0 5.9 57.0 12.2 58.0 1.3 65.0 1.8 67.0 50.7 68.0 6.7 69.0 39.9 70.0 13.1 71.0 2.1 72.0 2.8 81.0 4.1 82.0 38.0 83.0 3.5 100.0 2.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H12 O 0.05 ml : 0.5 ml CDCl3 trans-3-hexen-1-ol 
Assign. Shift(ppm)
A 5.577 B 5.388 C 3.601 D 2.64 E 2.251 F 2.029 G 0.979 ASSIGNED BY C-H COSY.
Hz ppm Int.2245.36 5.619 30 2244.02 5.615 52 2242.80 5.612 33 2239.01 5.603 56 2237.79 5.600 98 2236.45 5.597 59 2232.79 5.587 35 2231.45 5.584 57 2230.10 5.581 65 2228.76 5.577 76 2227.42 5.574 50 2223.75 5.565 79 2222.41 5.561 142 2221.19 5.558 85 2217.41 5.549 43 2216.19 5.546 76 2214.97 5.543 46 2167.60 5.424 42 2166.14 5.421 72 2164.67 5.417 44 2160.64 5.407 77 2159.18 5.403 135 2157.71 5.399 80 2153.81 5.390 47 2152.22 5.386 93 2150.76 5.382 85 2149.41 5.379 37 2145.39 5.369 54 2143.92 5.365 94 2142.46 5.361 56 2138.43 5.351 30 2136.96 5.348 51 2135.50 5.344 30 1445.68 3.618 361 1439.09 3.601 656 1432.50 3.585 377 1055.05 2.640 284 910.64 2.279 58 909.67 2.277 108 908.45 2.274 110 907.47 2.271 65 902.95 2.260 246 901.86 2.257 261 896.24 2.243 247 895.14 2.240 260 890.75 2.229 55 889.65 2.227 100 888.55 2.224 102 825.68 2.067 55 824.46 2.063 56 823.36 2.061 38 819.34 2.051 111 818.24 2.048 167 817.02 2.045 151 815.92 2.042 84 811.89 2.032 186 810.67 2.029 243 809.45 2.026 193 805.54 2.016 82 804.44 2.013 155 803.22 2.010 176 802.12 2.008 117 798.22 1.998 35 797.12 1.995 55 795.78 1.992 53 794.68 1.989 30 398.80 0.998 599 391.24 0.979 1000 383.79 0.961 593
in CDCl3
liquid film
4880 A,200 M,liquid
