D-glycero-D-gulo-heptono-1,4-lactone
Product Name D-glycero-D-gulo-heptono-1,4-lactone
CAS89-67-8
MFC7H12O7
MW208.17
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MassMS-NW-8126 D-glycero-D-gulo-heptono-1,4-lactone C7H12O7 (Mass of molecular ion: 208)
Source Temperature: 210 °C Sample Temperature: 190 °C Direct, 75 eV
15.0 3.8 18.0 3.4 19.0 5.2 27.0 3.4 28.0 3.3 29.0 8.3 30.0 2.0 31.0 10.7 39.0 1.8 41.0 3.5 42.0 4.4 43.0 18.4 44.0 10.0 45.0 9.0 54.0 1.2 55.0 4.1 56.0 4.2 57.0 8.9 58.0 3.6 59.0 1.7 60.0 13.3 61.0 27.8 62.0 1.0 69.0 3.9 70.0 1.0 71.0 16.1 72.0 6.0 73.0 100.0 74.0 7.8 76.0 7.5 83.0 1.9 84.0 1.1 85.0 8.8 86.0 2.8 87.0 1.2 89.0 2.2 91.0 7.7 97.0 3.3 99.0 1.2 100.0 5.5 101.0 2.0 102.0 1.3 103.0 3.4 113.0 1.0 114.0 1.9 115.0 3.5 119.0 2.8 131.0 4.3 133.0 1.8 142.0 2.4 147.0 2.5 148.0 2.4 159.0 6.5 160.0 1.3 190.0 1.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H12 O7 0.041 g : 0.5 ml DMSO-d6 D-glycero-D-gulo-heptono-1,4-lactone 
Assign. Shift(ppm)
A 5.81 B 5.46 C 4.92 D 4.75 E 4.49 F 4.439 G 4.391 J 4.284 K 3.805 L 3.57 M 3.57 N 3.40 ASSIGNED BY H-H AND C-H COSY, AND ADDITION OF D2O. J(A,F)=7.6HZ J(B,J)=3.5HZ J(C,K)=4.5HZ J(D,M)=5.6HZ J(F,J)=4.6HZ J(G,J)=2.9HZ J(G,K)=6.8HZ J(K,M)=5.5HZ
Hz ppm Int.2326.29 5.821 971 2318.73 5.802 1000 2182.13 5.461 704 2178.59 5.452 689 1967.29 4.923 965 1962.77 4.912 960 1901.12 4.757 677 1898.19 4.750 191 1895.51 4.743 701 1803.10 4.512 47 1800.42 4.505 242 1797.36 4.498 188 1795.17 4.492 689 1789.43 4.478 405 1785.03 4.467 30 1780.40 4.455 443 1775.76 4.444 474 1772.83 4.436 413 1768.19 4.425 488 1764.53 4.416 33 1763.92 4.414 33 1759.89 4.404 335 1757.20 4.397 367 1753.05 4.387 348 1750.37 4.380 379 1717.16 4.297 258 1713.38 4.288 382 1710.45 4.280 319 1709.72 4.279 330 1708.98 4.277 316 1705.93 4.269 199 1529.05 3.826 170 1524.05 3.814 288 1522.34 3.810 245 1519.29 3.802 243 1517.58 3.798 278 1512.57 3.785 165 1440.43 3.605 130 1435.67 3.593 235 1429.93 3.578 315 1427.49 3.572 301 1425.29 3.567 434 1422.24 3.559 409 1419.80 3.553 437 1414.31 3.539 216 1409.42 3.527 85 1377.93 3.448 51 1369.38 3.427 101 1365.11 3.416 185 1362.18 3.409 182 1360.11 3.404 249 1357.79 3.398 98 1354.98 3.391 381 1349.85 3.378 259 1345.09 3.366 57 1342.29 3.359 69
in DMSO-d6
KBr disc
nujol mull
