BENZYL BUTYL ETHER(588-67-0) 1H NMR
Product NameBENZYL BUTYL ETHER
CAS588-67-0
Molecular FormulaC11H16O
Molecular Weight164.24
InChIInChI=1S/C11H16O/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChIKey MAYUYFCAPVDYBQ-UHFFFAOYSA-N
SmilesC1(COCCCC)=CC=CC=C1
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MassMS-NW-5707 benzyl butyl ether C11H16O (Mass of molecular ion: 164)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 3.2 29.0 4.8 39.0 4.3 41.0 5.4 43.0 1.0 51.0 2.8 57.0 2.5 63.0 1.5 65.0 8.2 77.0 4.2 78.0 1.7 79.0 7.6 89.0 1.9 90.0 1.5 91.0 100.0 92.0 67.2 93.0 5.2 105.0 2.5 107.0 7.9 108.0 7.5 164.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H16 O 0.05 ml : 0.5 ml CDCl3 benzyl butyl ether 
Assign. Shift(ppm)
A 7.32 B 7.25 C 4.484 D 3.458 E 1.597 F 1.393 G 0.912
Hz ppm Int.2933.35 7.340 50 2928.62 7.328 845 2925.11 7.320 557 2923.89 7.317 584 2920.68 7.309 80 2917.79 7.301 67 2916.26 7.298 74 2915.19 7.295 83 2909.70 7.281 33 2905.43 7.270 92 2902.53 7.263 97 2901.92 7.262 94 2900.85 7.259 96 2899.32 7.255 81 2896.73 7.249 128 2894.29 7.243 67 2893.07 7.240 52 2892.00 7.237 60 2890.93 7.234 48 2888.18 7.227 32 1791.99 4.484 1000 1388.70 3.475 362 1382.14 3.459 668 1375.58 3.442 363 651.86 1.632 65 645.29 1.615 175 644.68 1.614 178 642.09 1.607 66 638.73 1.599 192 637.97 1.597 220 635.53 1.591 132 630.04 1.577 198 623.47 1.561 95 575.10 1.440 56 569.61 1.426 40 567.78 1.421 156 562.13 1.407 94 560.15 1.402 215 554.66 1.388 97 552.52 1.383 226 547.33 1.370 49 545.20 1.365 154 537.87 1.346 56 371.55 0.930 555 364.23 0.912 964 356.75 0.893 482
in CDCl3
liquid film
4880 A,200 M,liquid
