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4-{(E)-[({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazono]methyl}-2-methoxyphenyl acetate

View entire compound with spectra: 2 NMR

4-{(E)-[({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazono]methyl}-2-methoxyphenyl acetate
SpectraBase Compound ID nz4JkYMqc3
InChI InChI=1S/C18H21N9O5/c1-10(28)31-13-6-5-11(7-14(13)30-4)8-20-22-18(29)15-12(9-26(2)3)27(25-21-15)17-16(19)23-32-24-17/h5-8H,9H2,1-4H3,(H2,19,23)(H,22,29)/b20-8+
InChIKey IZOCWYPSEJRWEJ-DNTJNYDQSA-N
Mol Weight 443.42 g/mol
Molecular Formula C18H21N9O5
Exact Mass 443.166565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5jHq0v5ZLz3
Name 4-{(E)-[({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazono]methyl}-2-methoxyphenyl acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.166564807 u
Formula C18H21N9O5
InChI InChI=1S/C18H21N9O5/c1-10(28)31-13-6-5-11(7-14(13)30-4)8-20-22-18(29)15-12(9-26(2)3)27(25-21-15)17-16(19)23-32-24-17/h5-8H,9H2,1-4H3,(H2,19,23)(H,22,29)/b20-8+
InChIKey IZOCWYPSEJRWEJ-DNTJNYDQSA-N
Molecular Weight 443.424 g/mol
SMILES N(\N=C\C1=CC(OC)=C(C=C1)OC(=O)C)C(C1=C(N(C=2C(=NON2)N)N=N1)CN(C)C)=O