(Z)-Hex-4-en-1-ol(928-91-6) MS
Product Name(Z)-Hex-4-en-1-ol
CAS928-91-6
Molecular FormulaC6H12O
Molecular Weight100.16
InChIInChI=1S/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3/b3-2-
InChIKey VTIODUHBZHNXFP-IHWYPQMZSA-N
SmilesC(O)CC/C=C\C
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MassMS-IW-2622 cis-4-hexen-1-ol C6H12O (Mass of molecular ion: 100)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
26.0 1.5 27.0 17.9 28.0 5.0 29.0 19.7 30.0 1.1 31.0 16.6 38.0 1.9 39.0 27.1 40.0 5.0 41.0 71.8 42.0 15.4 43.0 7.5 44.0 15.3 45.0 6.7 50.0 1.6 51.0 2.8 52.0 1.4 53.0 12.7 54.0 26.7 55.0 41.0 56.0 13.2 57.0 20.1 58.0 2.7 65.0 3.2 66.0 1.5 67.0 100.0 68.0 8.9 69.0 11.4 70.0 2.9 71.0 3.0 72.0 4.7 79.0 2.4 81.0 11.9 82.0 53.9 83.0 4.0 100.0 6.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H12 O 0.05 ml : 0.5 ml CDCl3 cis-4-hexen-1-ol 
Assign. Shift(ppm)
A 5.46 B 5.39 C 3.598 D 3.52 E 2.107 F 1.61 G 1.61 J(A,B)=10.7HZ J(A,E)=-1.5HZ J(A,G)=6.6HZ J(B,E)=7.2HZ J(B,G)=-1.6HZ
Hz ppm Int.2198.97 5.503 53 2197.51 5.499 30 2193.85 5.490 82 2192.38 5.486 144 2191.04 5.483 78 2189.70 5.480 57 2188.23 5.476 98 2187.13 5.473 113 2185.79 5.470 141 2184.81 5.467 77 2182.98 5.463 137 2181.64 5.459 254 2180.30 5.456 172 2176.39 5.446 148 2175.05 5.443 282 2174.07 5.440 185 2169.80 5.430 77 2168.70 5.427 150 2165.89 5.420 169 2164.55 5.417 145 2163.09 5.413 63 2160.28 5.406 118 2159.06 5.403 251 2157.59 5.399 234 2155.88 5.395 109 2153.69 5.389 110 2152.10 5.385 144 2150.39 5.381 129 2148.32 5.376 145 2146.73 5.372 138 2145.14 5.368 65 2142.82 5.362 34 2141.24 5.358 71 2139.65 5.354 76 2137.94 5.350 34 1444.70 3.615 575 1437.99 3.599 958 1431.27 3.582 586 1407.59 3.523 86 854.13 2.138 124 853.03 2.135 170 851.93 2.132 136 845.70 2.117 413 838.01 2.097 429 830.81 2.079 197 830.20 2.078 187 657.84 1.647 213 651.12 1.630 538 646.73 1.619 1000 646.00 1.617 937 645.14 1.615 988 644.17 1.612 823 640.99 1.604 603 640.14 1.602 943 639.16 1.600 765 638.55 1.598 879 637.57 1.596 678 636.23 1.592 555 629.39 1.575 188
in CDCl3
liquid film
