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1,2,3,4-Butanetetrol, 1-(2-phenyl-2H-1,2,3-triazol-4-yl)-, tetraacetate (ester), [1R-(1R*,2S*,3R*)]-
SpectraBase Compound ID DAZrpaE13Pz
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
Mol Weight 433.42 g/mol
Molecular Formula C20H23N3O8
Exact Mass 433.148515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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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