Product Name1,6-ANHYDRO-BETA-D-GLUCOPYRANOSE
CAS498-07-7
Molecular FormulaC6H10O5
Molecular Weight162.14
InChIInChI=1/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/s3
InChIKey TWNIBLMWSKIRAT-XSJRRZLONA-N
SmilesO[C@H]1[C@@H]([C@@H](O)[C@@H]2OC[C@H]1O2)O |&1:1,2,3,5,8,r|
Mass
MS-IW-9163 1,6-anhydro-beta-D-glucose C6H10O5 (Mass of molecular ion: 162)
Source Temperature: 160 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 5.0 17.0 1.2 18.0 6.8 19.0 6.7 26.0 1.2 27.0 7.2 28.0 10.4 29.0 20.1 30.0 2.2 31.0 12.8 39.0 3.6 41.0 6.1 42.0 11.7 43.0 14.3 44.0 10.6 45.0 8.3 47.0 8.8 53.0 1.6 55.0 10.3 56.0 17.6 57.0 46.1 58.0 2.5 59.0 1.3 60.0 100.0 61.0 6.4 69.0 9.1 70.0 14.8 71.0 8.1 72.0 8.8 73.0 36.3 74.0 7.7 81.0 1.1 85.0 1.6 87.0 1.2 89.0 3.1 97.0 4.0 98.0 10.1 99.0 2.2 101.0 1.7 102.0 2.5 115.0 1.2 144.0 2.0
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C6 H10 O5 | 0.040 g : 0.5 ml DMSO-d6 |
1,6-anhydro-beta-D-glucose |
Assign. Shift(ppm) |
Hz ppm Int.
2062.50 5.161 761 1992.07 4.985 1000 1988.04 4.975 977 1948.73 4.877 969 1941.89 4.859 993 1922.61 4.811 965 1915.53 4.794 995 1740.72 4.356 293 1739.38 4.353 316 1734.74 4.341 310 1733.52 4.338 303 1550.54 3.880 424 1549.44 3.877 435 1543.58 3.863 452 1542.48 3.860 467 1406.01 3.519 365 1400.02 3.504 427 1399.17 3.501 429 1393.19 3.487 330 1349.73 3.378 202 1348.39 3.374 304 1347.17 3.371 305 1345.70 3.368 318 1344.36 3.364 323 1343.14 3.361 220 1341.55 3.357 164 1320.92 3.306 207 1319.46 3.302 237 1317.99 3.298 190 1314.09 3.289 205 1312.74 3.285 227 1311.28 3.282 177 1269.17 3.176 230 1267.82 3.173 234 1266.48 3.169 226 1262.08 3.158 228 1260.74 3.155 225 1259.40 3.152 212
in DMSO-d6
KBr disc
nujol mull
1,6-ANHYDRO-BETA-D-GLUCOPYRANOSE(498-07-7) Raman Atlas of Related Products
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