ALPHA,BETA-GLUCOOCTANOIC GAMMA-LACTONE
Product Name ALPHA,BETA-GLUCOOCTANOIC GAMMA-LACTONE
CAS6968-62-3
MFC8H14O8
MW238.19
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MassMS-IW-0782 D-erythro-L-talo-octono-1,4-lactone C8H14O8 (Mass of molecular ion: 238)
Source Temperature: 160 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 2.6 17.0 1.5 18.0 9.0 19.0 3.9 27.0 2.0 28.0 2.6 29.0 5.1 30.0 1.2 31.0 6.4 39.0 1.1 41.0 2.2 42.0 2.9 43.0 12.9 44.0 8.2 45.0 6.7 55.0 3.0 56.0 6.7 57.0 7.4 58.0 1.7 59.0 1.3 60.0 9.6 61.0 24.0 62.0 1.2 69.0 4.3 70.0 1.2 71.0 10.8 72.0 2.5 73.0 100.0 74.0 21.2 75.0 1.8 76.0 6.8 83.0 1.7 84.0 1.0 85.0 15.2 86.0 3.7 88.0 1.1 89.0 2.3 91.0 2.0 96.0 1.0 97.0 5.6 98.0 1.4 99.0 1.0 100.0 2.1 101.0 2.7 103.0 11.0 113.0 2.5 114.0 1.8 115.0 1.3 119.0 1.1 125.0 1.3 131.0 7.9 142.0 1.7 143.0 4.1 147.0 1.7 159.0 6.9 160.0 4.6 161.0 1.6 177.0 5.7 189.0 1.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H14 O8 0.033 g : 0.5 ml DMSO-d6 D-erythro-L-talo-octono-1,4-lactone 
Assign. Shift(ppm)
A 5.74 B 5.34 C 4.98 D *1 4.61 E *1 4.61 F 4.42 G 4.42 J 4.42 K 4.140 L 3.745 M *2 3.575 N 3.456 P *2 3.40 Q 3.37 ASSIGNED BY H-H AND C-H COSY, AND ADDITION OF D2O. J(A,F)=7.7HZ J(B,K)=3.9HZ J(C,L)=6.0HZ J(D,Q)=5.6HZ J(E,N)=5.6HZ J(G,M)=5.6HZ J(G,P)=5.4HZ J(J,K)=5.2HZ J(J,L)=4.3HZ J(L,O)=4.3HZ J(M,N)=3.5HZ J(M,P)=-10.9HZ J(N,P)=5.6HZ J(N,Q)=7.3HZ
Hz ppm Int.2298.58 5.752 864 2290.89 5.733 910 2134.28 5.341 838 2130.37 5.331 834 1991.82 4.984 660 1985.84 4.969 676 1846.68 4.621 773 1844.97 4.617 845 1840.09 4.605 991 1839.36 4.603 1000 1774.41 4.440 523 1768.43 4.425 870 1766.72 4.421 547 1765.63 4.418 589 1761.35 4.408 923 1659.42 4.153 264 1655.03 4.142 313 1654.17 4.140 295 1649.78 4.129 253 1504.03 3.764 148 1499.76 3.753 279 1498.05 3.749 193 1495.36 3.742 197 1493.77 3.738 285 1489.38 3.727 159 1439.58 3.603 115 1436.04 3.594 140 1433.96 3.589 127 1430.30 3.579 172 1428.96 3.576 186 1425.29 3.567 167 1423.22 3.562 164 1419.56 3.553 168 1393.55 3.487 58 1389.65 3.478 59 1387.94 3.473 136 1386.47 3.470 108 1384.28 3.464 123 1382.45 3.460 152 1380.74 3.455 193 1378.54 3.450 123 1377.20 3.447 167 1375.12 3.441 137 1371.58 3.432 123 1369.14 3.426 33 1366.21 3.419 208 1360.72 3.405 290 1357.18 3.396 249 1355.35 3.392 767 1352.66 3.385 232 1350.10 3.379 455 1345.95 3.368 277 1344.48 3.365 208 1338.87 3.351 121
in DMSO-d6
KBr disc
nujol mull
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