Product Name1,2-O-Isopropylidene--L-idofuranuronic Acid -Lactone
CAS29514-28-1
Molecular FormulaC9H12O6
Molecular Weight216.19
InChIInChI=1/C9H12O6/c1-9(2)14-6-5-4(13-8(6)15-9)3(10)7(11)12-5/h3-6,8,10H,1-2H3/t3-,4-,5+,6-,8-/s3
InChIKey BDBGJSXZKMTMGP-CZVKUOOHNA-N
SmilesO1[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(=O)[C@H](O)[C@@H]12 |&1:1,7,8,12,14,r|
Mass
MS-NW-6949 1,2-O-isopropylidene-beta-L-idofuranurono-6,3-lactone C9H12O6 (Mass of molecular ion: 216)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 7.7 18.0 2.5 19.0 2.7 26.0 1.8 27.0 7.2 28.0 3.0 29.0 13.4 30.0 3.3 31.0 11.5 39.0 7.2 40.0 1.7 41.0 10.6 42.0 4.3 43.0 100.0 44.0 4.3 45.0 2.5 49.0 1.4 54.0 1.8 55.0 5.8 56.0 2.6 57.0 7.9 58.0 5.8 59.0 53.6 60.0 4.0 61.0 2.5 68.0 3.2 69.0 4.0 71.0 10.0 72.0 7.1 73.0 16.5 81.0 1.0 83.0 4.0 84.0 3.0 85.0 86.4 86.0 5.8 97.0 1.9 99.0 1.4 100.0 3.4 101.0 3.2 113.0 3.6 114.0 1.5 123.0 2.0 127.0 6.8 129.0 1.3 141.0 28.5 142.0 2.2 158.0 12.9 159.0 5.6 183.0 4.2 201.0 84.9 202.0 7.8 203.0 1.4
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C9 H12 O6 | saturated in CDCl3 |
1,2-O-isopropylidene-beta-L-idofuranurono-6,3-lactone |
Assign. Shift(ppm) |
Hz ppm Int.
2373.78 5.940 234 2370.12 5.931 244 2026.12 5.070 218 2022.95 5.062 239 1935.67 4.844 182 1932.01 4.835 186 1918.33 4.801 242 1915.16 4.793 238 1734.74 4.341 166 1730.96 4.332 180 1373.05 3.436 64 765.63 1.916 37 608.64 1.523 1000 540.89 1.354 996
in CDCl3
KBr disc
nujol mull
1,2-O-Isopropylidene--L-idofuranuronic Acid -Lactone(29514-28-1) IR2 Atlas of Related Products
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