3-Ethoxycarbonyl-5,6-dihydro-2-methyl-4H-pyran(10226-28-5) MS
Product Name3-Ethoxycarbonyl-5,6-dihydro-2-methyl-4H-pyran
CAS10226-28-5
Molecular FormulaC9H14O3
Molecular Weight170.21
InChIInChI=1S/C9H14O3/c1-3-11-9(10)8-5-4-6-12-7(8)2/h3-6H2,1-2H3
InChIKey BWVSWJMSYLYIJA-UHFFFAOYSA-N
SmilesC1OC(C)=C(C(OCC)=O)CC1
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MassMS-IW-4180 ethyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate C9H14O3 (Mass of molecular ion: 170)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.9 18.0 1.1 26.0 1.6 27.0 9.0 28.0 3.9 29.0 13.2 31.0 1.4 39.0 6.6 40.0 2.2 41.0 10.7 42.0 2.2 43.0 82.1 44.0 3.2 45.0 3.0 51.0 1.4 52.0 1.4 53.0 7.1 54.0 6.6 55.0 22.2 56.0 2.4 57.0 1.5 58.0 1.0 65.0 2.4 66.0 2.1 67.0 4.5 68.0 2.8 69.0 5.4 70.0 2.2 71.0 1.6 72.0 1.3 73.0 1.7 77.0 1.6 79.0 4.0 81.0 12.3 82.0 5.4 83.0 12.8 84.0 2.0 85.0 2.6 93.0 3.2 95.0 4.8 96.0 16.2 97.0 73.3 98.0 20.6 99.0 16.2 100.0 1.9 101.0 1.2 107.0 6.9 109.0 5.8 111.0 2.0 113.0 3.3 114.0 2.1 122.0 1.8 123.0 14.2 124.0 14.4 125.0 99.3 126.0 9.3 127.0 9.3 128.0 1.2 139.0 4.1 140.0 5.8 141.0 100.0 142.0 13.3 143.0 1.6 155.0 2.9 168.0 1.9 169.0 1.2 170.0 64.0 171.0 7.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H14 O3 0.05 ml : 0.5 ml CDCl3 ethyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate 
Assign. Shift(ppm)
A 4.154 B 4.012 C 2.303 D 2.217 E 1.829 F 1.278
Hz ppm Int.1670.65 4.181 217 1663.57 4.163 565 1656.37 4.145 555 1649.29 4.127 205 1608.64 4.026 279 1603.52 4.013 314 1598.27 4.000 269 927.73 2.322 128 926.39 2.319 136 921.26 2.306 237 919.92 2.302 247 916.38 2.293 94 914.79 2.289 135 913.45 2.286 140 887.45 2.221 678 885.99 2.217 970 884.40 2.213 572 742.19 1.858 105 736.94 1.844 144 735.84 1.842 231 731.57 1.831 201 730.59 1.829 212 729.37 1.826 200 725.22 1.815 217 718.75 1.799 85 522.22 1.307 43 517.82 1.296 601 510.74 1.278 1000 506.84 1.269 56 503.54 1.260 560
in CDCl3
liquid film
