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1,2,3-Butanetriol, 1-(2-phenyl-2H-1,2,3-triazol-4-yl)-, triacetate (ester), [1S-(1R*,2S*,3S*)]-
SpectraBase Compound ID 4XImF1mHdpS
InChI InChI=1S/C18H21N3O6/c1-11(25-12(2)22)17(26-13(3)23)18(27-14(4)24)16-10-19-21(20-16)15-8-6-5-7-9-15/h5-11,17-18H,1-4H3
InChIKey VBEPIQDXDRUXTJ-UHFFFAOYSA-N
Mol Weight 375.38 g/mol
Molecular Formula C18H21N3O6
Exact Mass 375.143035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CLF01k2LJb
Name 1,2,3-Butanetriol, 1-(2-phenyl-2H-1,2,3-triazol-4-yl)-, triacetate (ester), [1S-(1R*,2S*,3S*)]-
Alternate Name(s) 2-(Acetyloxy)-1-[(acetyloxy)(2-phenyl-2H-1,2,3-triazol-4-yl)methyl]propyl acetate Acetic acid [3,4-diacetyloxy-4-(2-phenyl-4-triazolyl)butan-2-yl] ester [3,4-diacetyloxy-4-(2-phenyltriazol-4-yl)butan-2-yl] acetate [2,3-diacetoxy-1-methyl-3-(2-phenyltriazol-4-yl)propyl] acetate [3,4-diacetyloxy-4-(2-phenyl-1,2,3-triazol-4-yl)butan-2-yl] ethanoate
CAS Registry Number 34297-77-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21N3O6
InChI InChI=1S/C18H21N3O6/c1-11(25-12(2)22)17(26-13(3)23)18(27-14(4)24)16-10-19-21(20-16)15-8-6-5-7-9-15/h5-11,17-18H,1-4H3
InChIKey VBEPIQDXDRUXTJ-UHFFFAOYSA-N
Molecular Weight 375.381 g/mol
SMILES c1ccc(cc1)-[n]1ncc(C(C(C(C)OC(C)=O)OC(C)=O)OC(C)=O)n1
SPLASH splash10-0229-0960000000-dc872b5fc0ab729571ae
Source of Spectrum O-5-1146-2
Wiley ID 1357134