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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-5-propyl-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID EJPYrKgupcY
InChI InChI=1S/C17H21N9O2/c1-4-5-13-14(20-24-26(13)16-15(18)22-28-23-16)17(27)21-19-10-11-6-8-12(9-7-11)25(2)3/h6-10H,4-5H2,1-3H3,(H2,18,22)(H,21,27)/b19-10+
InChIKey NFGQDGSUANMWER-VXLYETTFSA-N
Mol Weight 383.42 g/mol
Molecular Formula C17H21N9O2
Exact Mass 383.181821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1l5HzMpU2go
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-5-propyl-1H-1,2,3-triazole-4-carbohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.181820950 u
Formula C17H21N9O2
InChI InChI=1S/C17H21N9O2/c1-4-5-13-14(20-24-26(13)16-15(18)22-28-23-16)17(27)21-19-10-11-6-8-12(9-7-11)25(2)3/h6-10H,4-5H2,1-3H3,(H2,18,22)(H,21,27)/b19-10+
InChIKey NFGQDGSUANMWER-VXLYETTFSA-N
Molecular Weight 383.416 g/mol
SMILES N(\N=C\C=1C=CC(=CC1)N(C)C)C(C=1N=NN(C=2C(=NON2)N)C1CCC)=O