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Ethyl 2-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]acetate
SpectraBase Compound ID 1woAgyZ37O
InChI InChI=1S/C15H19N3O5/c1-5-23-13(19)8-12-16-15(18-17-12)9-6-10(20-2)14(22-4)11(7-9)21-3/h6-7H,5,8H2,1-4H3,(H,16,17,18)
InChIKey UGLYVQGPHKLAMV-UHFFFAOYSA-N
Mol Weight 321.33 g/mol
Molecular Formula C15H19N3O5
Exact Mass 321.132471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9go4LASiToK
Name Ethyl 2-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]acetate
Comments Computed using HOSE algorithm
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Exact Mass 321.132470719 u
Formula C15H19N3O5
InChI InChI=1S/C15H19N3O5/c1-5-23-13(19)8-12-16-15(18-17-12)9-6-10(20-2)14(22-4)11(7-9)21-3/h6-7H,5,8H2,1-4H3,(H,16,17,18)
InChIKey UGLYVQGPHKLAMV-UHFFFAOYSA-N
Molecular Weight 321.333 g/mol
SMILES C=1(C2=CC(OC)=C(C(=C2)OC)OC)N=C(CC(OCC)=O)NN1