3,5-Di(acetyloxy)-2-[(acetyloxy)methyl]-6-(2H-1,2,3,4-tetraazol-5-yl)tetrahydro-2H-pyran-4-yl acetate

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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

Spectral Data

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.

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Available MS Data

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
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Identificators

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
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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

In Other Databases

PubChem 3751900
ChemSpider 2981344