METHYL-BETA-D-XYLOPYRANOSIDE(612-05-5) IR2
Product NameMETHYL-BETA-D-XYLOPYRANOSIDE
CAS612-05-5
Molecular FormulaC6H12O5
Molecular Weight164.16
InChIInChI=1/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4+,5-,6-/s3
InChIKey ZBDGHWFPLXXWRD-DQCLPXBLNA-N
Smiles[C@@H]1(OC)OC[C@@H](O)[C@H](O)[C@H]1O |&1:0,5,7,9,r|
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MassMS-IW-9315 methyl beta-D-xylopyranoside C6H12O5 (Mass of molecular ion: 164)
Source Temperature: 110 °C Sample Temperature: 110 °C Direct, 75 eV
15.0 6.3 18.0 2.4 19.0 3.8 27.0 4.1 28.0 5.3 29.0 11.6 30.0 2.0 31.0 11.8 32.0 1.5 33.0 6.9 39.0 1.7 40.0 1.1 41.0 3.5 42.0 7.1 43.0 16.4 44.0 9.0 45.0 9.9 55.0 3.0 56.0 2.1 57.0 14.3 58.0 5.0 59.0 4.8 60.0 100.0 61.0 31.3 62.0 1.1 68.0 1.3 69.0 4.6 71.0 12.0 72.0 1.1 73.0 42.3 74.0 34.1 75.0 2.6 85.0 2.4 86.0 7.7 87.0 3.6 91.0 1.0 100.0 3.1 114.0 2.7 116.0 1.3 133.0 3.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H12 O5 0.035 g : 0.5 ml DMSO-d6 methyl beta-D-xylopyranoside 
Assign. Shift(ppm)
A *1 5.07 B *1 4.96 C 3.99 D 3.698 E 3.353 F 3.261 G 3.082 J 3.037 K 2.934 J(C,G) = 8.8 HZ J(D,J) = -11.2 HZ J(D,F) = 5.3 HZ
Hz ppm Int.2027.59 5.074 174 2022.58 5.061 172 1984.38 4.966 255 1979.49 4.954 302 1599.98 4.004 137 1592.29 3.985 142 1486.33 3.720 50 1480.96 3.706 55 1475.10 3.691 55 1469.73 3.678 54 1339.97 3.353 1000 1308.72 3.275 32 1305.05 3.266 33 1303.59 3.262 34 1299.93 3.253 50 1294.80 3.240 35 1243.04 3.111 33 1238.16 3.099 33 1234.13 3.089 62 1229.37 3.077 62 1225.34 3.067 35 1219.60 3.052 76 1209.11 3.026 69 1208.37 3.024 78 1197.88 2.998 52 1182.62 2.960 43 1177.61 2.947 44 1174.93 2.940 46 1173.71 2.937 39 1170.04 2.928 45 1168.70 2.925 39 1166.02 2.918 32 1161.13 2.906 30
in D2O
in DMSO-d6
KBr disc
nujol mull
