ALPHA-HEPTYL-GAMMA-BUTYROLACTONE(2983-21-3) 1H NMR
Product NameALPHA-HEPTYL-GAMMA-BUTYROLACTONE
CAS2983-21-3
Molecular FormulaC11H20O2
Molecular Weight184.28
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-13-11(10)12/h10H,2-9H2,1H3
InChIKey ABQLAMJAQZFPJI-UHFFFAOYSA-N
SmilesO1CCC(CCCCCCC)C1=O
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MassMS-IW-2623 alpha-heptyl-gamma-butyrolactone C11H20O2 (Mass of molecular ion: 184)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 4.4 28.0 1.0 29.0 6.9 39.0 4.4 41.0 15.4 42.0 6.3 43.0 11.2 53.0 2.0 54.0 1.9 55.0 17.2 56.0 5.9 57.0 3.6 58.0 4.5 67.0 1.9 68.0 1.3 69.0 5.3 70.0 2.7 81.0 2.6 83.0 1.3 84.0 1.0 85.0 4.9 86.0 100.0 87.0 5.6 99.0 51.2 100.0 3.7 184.0 2.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H20 O2 0.05 ml : 0.5 ml CDCl3 alpha-heptyl-gamma-butyrolactone 
Assign. Shift(ppm)
A *1 4.334 B *1 4.193 C 2.515 D *2 2.406 E *2 1.940 F *3 1.87 G *3 1.44 J 1.40 K 1.35 L 1.31 M 1.25 N 0.882 ASSIGNED BY CH-COSY
Hz ppm Int.1743.53 4.363 121 1740.48 4.356 127 1734.62 4.341 230 1731.69 4.334 223 1725.95 4.319 179 1723.02 4.312 172 1687.87 4.224 214 1681.15 4.207 249 1678.83 4.201 221 1678.34 4.200 271 1672.12 4.184 235 1671.63 4.183 274 1669.31 4.177 187 1662.60 4.161 171 1018.31 2.549 57 1014.28 2.538 63 1013.06 2.535 51 1009.52 2.527 132 1008.42 2.524 91 1005.62 2.517 55 1004.39 2.514 73 1000.85 2.505 97 999.63 2.502 137 995.73 2.492 42 990.97 2.480 76 976.56 2.444 109 973.63 2.437 107 969.85 2.427 110 967.77 2.422 77 966.92 2.420 108 964.84 2.415 90 964.23 2.413 122 961.18 2.406 169 958.13 2.398 88 957.52 2.396 117 955.44 2.391 92 954.47 2.389 107 952.51 2.384 83 948.73 2.374 78 945.68 2.367 73 795.78 1.992 87 787.23 1.970 107 786.13 1.968 137 783.33 1.961 79 777.59 1.946 131 776.25 1.943 102 774.78 1.939 94 773.68 1.936 127 767.82 1.922 86 765.14 1.915 128 763.79 1.912 103 757.81 1.897 64 755.25 1.890 96 753.54 1.886 51 751.83 1.882 64 749.39 1.876 76 746.95 1.870 79 744.75 1.864 97 742.92 1.859 72 738.04 1.847 64 593.14 1.485 31 586.18 1.467 69 584.72 1.464 48 578.61 1.448 92 577.51 1.446 75 569.70 1.426 119 565.80 1.416 158 561.65 1.406 230 557.86 1.396 156 556.64 1.393 156 550.66 1.378 117 548.71 1.373 118 545.78 1.366 96 541.50 1.355 112 529.17 1.325 281 523.80 1.311 406 521.97 1.307 454 517.46 1.295 442 511.35 1.280 433 359.74 0.901 304 352.91 0.884 1000 345.83 0.866 354
in CDCl3
liquid film
