Product NameHeptyl β-D-xylopyranoside
CAS6743-67-5
Molecular FormulaC12H24O5
Molecular Weight248.32
InChIInChI=1S/C12H24O5/c1-2-3-4-5-6-7-16-12-11(15)10(14)9(13)8-17-12/h9-15H,2-8H2,1H3/t9-,10+,11-,12-/m1/s1
InChIKey VPZOXBIXIXVLTM-WRWGMCAJSA-N
SmilesO1C([H])([H])[C@]([H])([C@@]([H])([C@]([H])([C@]1([H])OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[H])O[H])O[H]
Mass
MS-IW-9746 heptyl beta-D-xylopyranoside C12H24O5 (Mass of molecular ion: 248)
Source Temperature: 170 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 1.4 18.0 3.1 19.0 2.6 27.0 6.2 28.0 3.0 29.0 14.0 31.0 7.0 39.0 3.8 40.0 1.2 41.0 22.3 42.0 9.4 43.0 32.4 44.0 5.7 45.0 7.3 47.0 1.4 54.0 1.2 55.0 16.0 56.0 14.7 57.0 100.0 58.0 7.1 59.0 1.0 60.0 68.7 61.0 10.0 68.0 3.6 69.0 13.6 70.0 12.9 71.0 7.5 73.0 84.1 74.0 15.1 75.0 1.2 83.0 1.6 85.0 3.5 86.0 17.4 87.0 3.6 89.0 2.4 96.0 1.0 97.0 1.6 98.0 5.2 99.0 20.0 100.0 1.6 103.0 1.8 114.0 5.2 115.0 3.3 133.0 3.3 145.0 6.2 158.0 3.6 217.0 1.1
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C12 H24 O5 | 0.038 g : 0.5 ml DMSO-d6 |
heptyl beta-D-xylopyranoside |
Assign. Shift(ppm) |
Hz ppm Int.
1985.84 4.969 530 1980.83 4.957 539 1974.49 4.941 758 1969.60 4.929 901 1625.12 4.067 368 1617.55 4.048 380 1478.27 3.699 92 1476.20 3.694 159 1471.44 3.682 273 1468.87 3.676 124 1464.97 3.666 248 1461.91 3.658 224 1459.72 3.653 186 1455.20 3.642 96 1371.22 3.432 82 1364.50 3.415 187 1361.57 3.407 89 1357.91 3.398 102 1354.98 3.391 163 1348.27 3.374 78 1317.99 3.298 37 1312.87 3.286 63 1309.20 3.276 63 1307.74 3.273 92 1304.08 3.264 100 1302.73 3.260 99 1298.95 3.251 112 1297.49 3.247 64 1293.95 3.238 100 1288.70 3.225 54 1240.72 3.105 90 1235.96 3.093 93 1231.93 3.083 178 1227.17 3.071 182 1223.14 3.061 100 1218.38 3.049 105 1214.11 3.038 193 1203.61 3.012 220 1203.00 3.011 228 1192.50 2.984 147 1181.15 2.956 118 1176.15 2.943 126 1173.46 2.937 136 1172.24 2.934 111 1168.46 2.924 138 1167.24 2.921 115 1164.55 2.914 93 1159.55 2.902 89 613.16 1.535 38 612.79 1.534 38 611.57 1.531 36 606.32 1.518 125 599.37 1.500 192 592.16 1.482 155 585.57 1.466 57 512.21 1.282 322 504.39 1.263 537 500.98 1.254 584 350.95 0.879 296 344.24 0.862 1000 337.16 0.844 341
in DMSO-d6
Heptyl β-D-xylopyranoside(6743-67-5) 1H NMR Atlas of Related Products
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