SpectraBase Spectrum ID |
LNRYhfX8dYt |
Name |
1,2,3,4-Butanetetrol, 1-(2-phenyl-2H-1,2,3-triazol-4-yl)-, tetraacetate (ester), [1R-(1R*,2S*,3R*)]- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
433.148514705 u |
Formula |
C20H23N3O8 |
InChI |
InChI=1S/C20H23N3O8/c1-12(24)28-11-18(29-13(2)25)20(31-15(4)27)19(30-14(3)26)17-10-21-23(22-17)16-8-6-5-7-9-16/h5-10,18-20H,11H2,1-4H3 |
InChIKey |
FAVCUUQOZGVLMI-UHFFFAOYSA-N |
Molecular Weight |
433.417 g/mol |
SMILES |
C(C(OC(C)=O)C1=NN(C2=CC=CC=C2)N=C1)(C(COC(C)=O)OC(C)=O)OC(C)=O |