D-Glucoheptono-1,4-lactone(79703-26-7) MS
Product NameD-Glucoheptono-1,4-lactone
CAS79703-26-7
Molecular FormulaC7H12O7
Molecular Weight208.17
InChIInChI=1/C7H12O7/c8-1-2(9)3(10)6-4(11)5(12)7(13)14-6/h2-6,8-12H,1H2/t2-,3+,4+,5-,6-/s3
InChIKey VIVCRCODGMFTFY-HTWHPAKYNA-N
SmilesC1(O[C@H]([C@H]([C@@H](CO)O)O)[C@@H](O)[C@H]1O)=O |&1:2,3,4,9,11,r|
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MassMS-NW-7362 D-glucoheptono-1,4-lactone C7H12O7 (Mass of molecular ion: 208)
Source Temperature: 170 °C Sample Temperature: 160 °C Direct, 75 eV
15.0 6.2 18.0 2.5 19.0 7.3 26.0 1.0 27.0 6.6 28.0 2.4 29.0 14.6 30.0 3.4 31.0 19.8 39.0 3.3 41.0 4.8 42.0 8.7 43.0 27.4 44.0 11.0 45.0 12.0 47.0 1.4 54.0 1.6 55.0 6.2 56.0 5.3 57.0 12.5 58.0 3.9 59.0 2.1 60.0 18.7 61.0 32.6 62.0 1.1 69.0 5.1 70.0 1.2 71.0 17.6 72.0 7.6 73.0 100.0 74.0 8.0 76.0 7.5 83.0 2.1 84.0 1.3 85.0 9.3 86.0 3.5 87.0 1.3 89.0 2.6 91.0 7.8 97.0 3.6 98.0 1.1 99.0 1.3 100.0 5.3 101.0 1.9 102.0 1.4 103.0 3.6 113.0 1.1 114.0 2.0 115.0 3.4 119.0 2.8 131.0 4.0 133.0 1.8 142.0 2.2 147.0 2.4 148.0 2.2 159.0 5.7 160.0 1.3 190.0 1.7
in D2O
KBr disc
nujol mull
