cis-3-Hexenyl lactate(61931-81-5) MS
Product Namecis-3-Hexenyl lactate
CAS61931-81-5
Molecular FormulaC9H16O3
Molecular Weight172.22
InChIInChI=1S/C9H16O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5,8,10H,3,6-7H2,1-2H3/b5-4-
InChIKey NNLLMULULOBXBY-PLNGDYQASA-N
SmilesC(OCC/C=C\CC)(=O)C(O)C
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MassMS-NW-1484 cis-3-hexenyl lactate C9H16O3 (Mass of molecular ion: 172)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 4.1 17.0 1.3 18.0 5.9 19.0 3.5 26.0 1.6 27.0 18.2 28.0 3.4 29.0 11.7 31.0 2.8 39.0 15.7 40.0 2.9 41.0 43.5 42.0 7.4 43.0 17.0 44.0 3.0 45.0 100.0 46.0 2.4 50.0 1.0 51.0 2.0 52.0 1.0 53.0 7.7 54.0 10.1 55.0 52.8 56.0 4.4 57.0 3.7 58.0 1.6 59.0 1.4 65.0 1.6 66.0 1.3 67.0 93.2 68.0 6.2 69.0 4.3 70.0 3.5 71.0 1.1 75.0 2.7 79.0 2.3 80.0 1.3 81.0 9.7 82.0 99.3 83.0 16.6 84.0 1.1 99.0 4.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H16 O3 0.04 ml : 0.5 ml CDCl3 cis-3-hexenyl lactate 
Assign. Shift(ppm)
A *1 5.52 B *1 5.30 C 4.26 D 4.17 E 2.95 F 2.41 G 2.05 J 1.409 K 0.97
Hz ppm Int.501.25 5.597 37 497.25 5.553 44 491.50 5.488 46 490.44 5.477 99 484.56 5.411 146 478.69 5.345 96 477.56 5.333 49 471.81 5.269 45 467.88 5.225 34 392.38 4.382 48 385.44 4.304 142 381.50 4.260 145 381.00 4.255 155 378.56 4.227 153 374.31 4.180 402 371.75 4.151 68 367.50 4.104 265 264.38 2.952 74 225.88 2.523 53 218.94 2.445 160 212.56 2.374 155 205.81 2.299 58 191.63 2.140 91 191.06 2.134 74 185.13 2.068 110 184.38 2.059 161 177.69 1.985 95 177.19 1.979 107 170.19 1.901 40 129.69 1.449 1000 122.75 1.371 940 120.56 1.347 43 94.31 1.054 325 87.13 0.973 627 86.63 0.968 489 79.38 0.887 243 78.81 0.880 146
in CDCl3
liquid film
4880 A,200 M,liquid
