| SpectraBase Spectrum ID |
6Nr4g9T9jgv |
| Name |
Mannooctose, hexaacetyl-8-o-[2-phenyl-2,1,3-triazol-4-yl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
635.196252741 u |
| Formula |
C28H33N3O14 |
| InChI |
InChI=1S/C28H33N3O14/c1-14(32)39-21(13-38-22-12-29-31(30-22)20-10-8-7-9-11-20)23(40-15(2)33)24-25(41-16(3)34)26(42-17(4)35)27(43-18(5)36)28(45-24)44-19(6)37/h7-12,21,23-28H,13H2,1-6H3/t21?,23?,24-,25-,26+,27+,28+/m1/s1 |
| InChIKey |
CZJIJCFPYUPBLB-BPFLGMNUSA-N |
| Molecular Weight |
635.579 g/mol |
| SMILES |
[C@@]1([C@](O[C@@]([C@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(C)=O)[H])(C(OC(=O)C)C(OC(=O)C)COC1=NN(N=C1)C1=CC=CC=C1)[H])(OC(C)=O)[H] |
![Mannooctose, hexaacetyl-8-o-[2-phenyl-2,1,3-triazol-4-yl]-](/api/spectrum/6Nr4g9T9jgv/structure.png?h=300&w=458 "Mannooctose, hexaacetyl-8-o-[2-phenyl-2,1,3-triazol-4-yl]-")
