SEDOHEPTULOSE ANHYDRIDE(469-90-9) 1H NMR
Molecular FormulaC7H12O6
Molecular Weight192.17
InChIInChI=1S/C7H12O6/c8-2-7-6(11)5(10)4(9)3(13-7)1-12-7/h3-6,8-11H,1-2H2
InChIKey GKUQBELMWYQKKJ-UHFFFAOYSA-N
SmilesC(C12OCC(C(O)C(O)C1O)O2)O
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![](https://www.chemicalbook.com/Spectrum/469-90-9_MS.gif)
Mass
MS-NW-9096
2,7-anhydro-beta-D-altro-2-heptulopyranose
C7H12O6 H2O (Mass of molecular ion: 192)
Source Temperature: 210 °C
Sample Temperature: 150 °C
Direct, 75 eV
15.0 4.3
18.0 2.1
19.0 5.2
27.0 5.3
28.0 5.4
29.0 13.8
30.0 2.1
31.0 23.3
39.0 2.6
41.0 6.0
42.0 6.7
43.0 13.5
44.0 5.8
45.0 6.7
47.0 1.2
49.0 11.0
53.0 1.8
55.0 6.6
56.0 13.7
57.0 75.8
58.0 4.1
59.0 1.6
60.0 100.0
61.0 7.7
69.0 12.3
70.0 14.4
71.0 9.0
72.0 2.0
73.0 34.2
74.0 9.7
75.0 1.4
77.0 21.1
81.0 1.9
85.0 2.7
86.0 1.5
87.0 2.5
91.0 3.4
97.0 4.4
98.0 11.6
99.0 8.7
102.0 15.4
103.0 3.8
115.0 1.9
116.0 2.6
119.0 13.9
131.0 5.7
132.0 2.8
174.0 4.2
175.0 1.8