1-BROMO-8-(TETRAHYDROPYRANYLOXY)OCTANE(50816-20-1) MS
Product Name1-BROMO-8-(TETRAHYDROPYRANYLOXY)OCTANE
CAS50816-20-1
Molecular FormulaC13H25BrO2
Molecular Weight293.24
InChIInChI=1S/C13H25BrO2/c14-10-6-3-1-2-4-7-11-15-13-9-5-8-12-16-13/h13H,1-12H2
InChIKey JCRBYQZIJFWGOO-UHFFFAOYSA-N
SmilesC1(OCCCCCCCCBr)OCCCC1
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MassMS-NW-6120 2-(8-bromooctyloxy)tetrahydropyran C13H25BrO2 (Mass of molecular ion: 292)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 7.9 28.0 4.2 29.0 10.8 31.0 3.9 39.0 5.3 40.0 1.2 41.0 27.2 42.0 4.6 43.0 10.7 44.0 1.6 53.0 2.1 54.0 3.6 55.0 27.6 56.0 29.5 57.0 16.4 67.0 7.0 68.0 4.0 69.0 28.3 70.0 2.5 71.0 2.8 81.0 1.9 82.0 2.4 83.0 6.0 84.0 9.1 85.0 100.0 86.0 6.4 101.0 6.5 102.0 1.2 111.0 6.2 115.0 1.8 135.0 2.5 137.0 2.2 148.0 2.0 149.0 1.2 150.0 2.1 151.0 1.2 162.0 1.7 164.0 1.6 191.0 1.0 193.0 1.0 291.0 1.0 293.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H25 Br O2 0.04 ml : 0.5 ml CDCl3 2-(8-bromooctyloxy)tetrahydropyran 
Assign. Shift(ppm)
A 4.574 B 3.870 C 3.730 D 3.505 E 3.405 F 3.383 G 1.853 J 1.71 K 1.59 to 1.55 L 1.43 M 1.34
Hz ppm Int.1831.79 4.584 152 1829.10 4.577 230 1827.39 4.573 169 1824.58 4.566 166 1546.51 3.870 140 1496.09 3.744 234 1493.41 3.737 138 1489.26 3.727 132 1486.57 3.720 258 1479.61 3.703 129 1367.80 3.423 501 1362.06 3.409 288 1360.84 3.406 1000 1356.20 3.394 316 1354.00 3.388 559 1349.61 3.377 165 1346.68 3.370 240 747.68 1.871 301 740.60 1.854 361 734.62 1.839 212 732.91 1.834 321 726.07 1.817 204 683.11 1.710 136 644.78 1.614 183 644.53 1.613 183 643.19 1.610 190 636.72 1.594 323 635.86 1.592 309 631.23 1.580 315 627.44 1.570 205 623.78 1.561 250 619.51 1.551 244 617.68 1.546 276 616.70 1.544 287 614.14 1.537 292 608.52 1.523 179 607.54 1.521 169 605.96 1.517 141 571.17 1.430 189 535.16 1.340 700
in CDCl3
liquid film
