Systematic / IUPAC Name: 2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-(2H-tetrazol-5-yl)hexitol
ID: Reference5574
Other Names:
3,5-di(Acetyloxy)-2-[(acetyloxy)methyl]-6-(1H-1,2,3,4-tetraazol-5-yl)tetrahydro-2H-pyran-4-yl acetate;
Hexitol, 1,5-anhydro-1-C-2H-tetrazol-5-yl, 2,3,4,6-tetraacetate
Formula: C15H20N4O9
3,5-Di(acetyloxy)-2-[(acetyloxy)methyl]-6-(2H-1,2,3,4-tetraazol-5-yl)tetrahydro-2H-pyran-4-yl acetate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 2 |
No. of Spectra | 184 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 9/12/2016 11:56:16 AM |
InChI | InChI=1S/C15H20N4O9/c1-6(20)24-5-10-11(25-7(2)21)12(26-8(3)22)13(27-9(4)23)14(28-10)15-16-18-19-17-15/h10-14H,5H2,1-4H3,(H,16,17,18,19) |
InChI Key | VKNLELDKGFXCBY-UHFFFAOYSA-N |
Canonical SMILES | CC(=O)OCC1C(C(C(C(O1)C2=NNN=N2)OC(=O)C)OC(=O)C)OC(=O)C |
CAS | |
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Other Names |
3,5-di(Acetyloxy)-2-[(acetyloxy)methyl]-6-(1H-1,2,3,4-tetraazol-5-yl)tetrahydro-2H-pyran-4-yl acetate; Hexitol, 1,5-anhydro-1-C-2H-tetrazol-5-yl, 2,3,4,6-tetraacetate |