Product NameMETHYL 4,6-O-BENZYLIDENE-ALPHA-D-GLUCOPYRANOSIDE
CAS3162-96-7
Molecular FormulaC14H18O6
Molecular Weight282.29
InChIInChI=1/C14H18O6/c1-17-14-11(16)10(15)12-9(19-14)7-18-13(20-12)8-5-3-2-4-6-8/h2-6,9-16H,7H2,1H3/t9-,10-,11-,12-,13?,14+/s3
InChIKey VVSWDMJYIDBTMV-CEJMUUMTNA-N
Smiles[C@H]12[C@H](O)[C@H]([C@@H](OC)O[C@@H]1COC(C1C=CC=CC=1)O2)O |&1:0,1,3,4,8,r|
Mass
MS-IW-6691 methyl 4,6-o-benzylidene-alpha-D-glucopyranoside C14H18O6 (Mass of molecular ion: 282)
Source Temperature: 170 °C Sample Temperature: 150 °C Direct, 75 eV
15.0 3.2 17.0 1.5 18.0 7.6 19.0 1.6 27.0 4.1 28.0 2.5 29.0 6.9 31.0 7.7 32.0 1.5 33.0 3.5 39.0 4.2 41.0 5.6 42.0 2.5 43.0 9.1 44.0 2.8 45.0 30.8 50.0 1.8 51.0 5.8 52.0 1.6 53.0 1.8 54.0 1.8 55.0 5.0 56.0 1.6 57.0 12.0 58.0 1.9 59.0 5.2 60.0 12.6 61.0 7.5 63.0 1.0 68.0 2.1 69.0 12.1 70.0 8.7 71.0 5.9 72.0 1.9 73.0 40.0 74.0 36.3 75.0 18.3 76.0 1.6 77.0 22.2 78.0 5.6 79.0 19.3 80.0 1.5 81.0 3.0 82.0 1.7 83.0 1.7 85.0 7.7 86.0 5.4 87.0 16.5 88.0 1.3 89.0 2.2 90.0 2.9 91.0 28.1 92.0 4.2 97.0 3.5 98.0 3.4 99.0 3.9 100.0 1.1 101.0 4.5 103.0 10.2 104.0 2.6 105.0 93.2 106.0 23.5 107.0 100.0 108.0 8.8 109.0 3.2 115.0 6.1 116.0 6.8 117.0 2.4 118.0 2.4 119.0 2.8 120.0 2.9 121.0 2.6 123.0 3.1 127.0 6.4 128.0 1.1 131.0 1.3 132.0 1.3 133.0 38.4 134.0 2.9 135.0 1.1 136.0 3.3 144.0 3.8 145.0 10.1 146.0 2.1 147.0 1.1 149.0 11.6 150.0 3.1 160.0 1.3 161.0 1.2 162.0 17.4 163.0 9.3 164.0 1.0 167.0 2.7 173.0 1.4 175.0 3.1 177.0 1.5 178.0 1.1 179.0 34.4 180.0 4.1 190.0 1.3 191.0 4.2 205.0 1.1 207.0 2.9 221.0 1.3 222.0 1.2 239.0 1.0 249.0 2.8 250.0 2.0 251.0 3.8 281.0 10.4 282.0 24.9 283.0 4.7
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C14 H18 O6 | 0.040 g : 0.5 ml CDCl3 |
methyl 4,6-O-benzylidene-alpha-D-glucopyranoside |
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Assign. Shift(ppm) |
Hz ppm Int.
2997.07 7.500 71 2996.70 7.499 72 2995.97 7.497 55 2994.51 7.493 51 2993.16 7.490 89 2992.43 7.488 97 2989.14 7.480 116 2986.94 7.474 105 2944.95 7.369 46 2943.60 7.366 48 2941.41 7.360 152 2940.31 7.358 149 2939.45 7.356 112 2936.89 7.349 228 2934.69 7.344 268 2932.62 7.338 35 2193.97 5.490 209 1880.98 4.707 117 1877.08 4.697 116 1706.42 4.270 56 1702.15 4.260 62 1696.78 4.246 64 1692.50 4.235 48 1560.91 3.906 36 1551.64 3.883 80 1542.36 3.860 46 1505.49 3.768 41 1500.73 3.756 36 1495.97 3.744 40 1491.94 3.734 44 1485.35 3.717 94 1475.71 3.693 95 1465.33 3.667 45 1415.04 3.541 41 1381.10 3.456 69 1371.83 3.433 112 1362.55 3.410 66 1357.67 3.398 1000
in CDCl3
KBr disc
nujol mull
METHYL 4,6-O-BENZYLIDENE-ALPHA-D-GLUCOPYRANOSIDE(3162-96-7) 13C NMR Atlas of Related Products
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