Product Name2-METHOXYETHYL2-ETHYLHEXANOATE
Molecular FormulaC11H22O3
Molecular Weight202.29058
InChIInChI=1S/C11H22O3/c1-4-6-7-10(5-2)11(12)14-9-8-13-3/h10H,4-9H2,1-3H3
InChIKey PMZZETPTEIPWTL-UHFFFAOYSA-N
SmilesC(OCCOC)(=O)C(CC)CCCC
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MassMS-IW-3563 2-methoxyethyl 2-ethylhexanoate C11H22O3 (Mass of molecular ion: 202)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 2.6 27.0 6.7 28.0 3.0 29.0 15.9 31.0 6.1 39.0 4.2 41.0 18.5 42.0 3.8 43.0 22.1 45.0 9.5 53.0 1.3 55.0 15.6 56.0 5.4 57.0 94.2 58.0 100.0 59.0 34.3 60.0 1.4 69.0 5.3 70.0 18.0 71.0 2.2 73.0 1.3 77.0 4.8 83.0 2.8 88.0 1.5 97.0 2.5 98.0 7.3 99.0 30.0 100.0 2.3 103.0 2.0 114.0 6.3 116.0 2.0 126.0 1.3 127.0 34.0 128.0 3.0 131.0 2.6 146.0 12.6 147.0 1.0 174.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H22 O3 0.05 ml : 0.5 ml CDCl3 2-methoxyethyl 2-ethylhexanoate 
Assign. Shift(ppm)
A 4.249 B 3.590 C 3.382 D 2.315 E *1 1.64 F *2 1.60 G *1 1.53 J *2 1.47 K 1.30 to 1.26 M 0.898 N 0.885 ASSIGNED BY C-H AND H-H COSY.
Hz ppm Int.1703.13 4.262 230 1700.44 4.255 81 1699.46 4.253 127 1698.36 4.250 217 1697.14 4.247 126 1696.17 4.245 84 1693.60 4.238 239 1439.58 3.603 236 1436.89 3.596 79 1436.04 3.594 121 1434.81 3.591 211 1433.59 3.588 122 1432.74 3.585 81 1430.05 3.579 215 1351.56 3.382 1000 934.33 2.338 40 931.03 2.330 41 925.66 2.317 77 920.17 2.303 45 916.87 2.295 44 660.77 1.654 36 659.42 1.650 39 657.10 1.645 30 654.54 1.638 55 653.32 1.635 42 652.10 1.632 52 650.15 1.627 33 647.09 1.620 63 645.87 1.617 65 644.65 1.614 53 638.43 1.598 60 635.74 1.591 35 628.78 1.574 31 621.34 1.555 44 615.84 1.541 48 613.89 1.537 49 608.40 1.523 57 602.29 1.508 47 600.46 1.503 37 594.60 1.488 53 588.87 1.474 50 586.79 1.469 34 581.30 1.455 34 531.37 1.330 37 528.32 1.322 32 525.39 1.315 59 524.17 1.312 50 521.00 1.304 61 518.68 1.298 76 516.48 1.293 67 514.53 1.288 92 512.08 1.282 90 510.62 1.278 86 507.93 1.271 84 507.08 1.269 88 502.93 1.259 72 501.71 1.256 68 500.73 1.253 64 498.29 1.247 37 495.97 1.242 35 494.26 1.237 47 366.33 0.917 281 360.84 0.903 216 358.89 0.899 524 356.81 0.893 106 353.88 0.886 368 351.44 0.880 276 346.68 0.868 193
in CDCl3
liquid film
