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1,2,4-oxadiazole, 3-(1,3-benzodioxol-5-yl)-5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-
SpectraBase Compound ID UHQGdeOTGT
InChI InChI=1S/C16H16N4O3/c1-9-12(10(2)19-18-9)4-6-15-17-16(20-23-15)11-3-5-13-14(7-11)22-8-21-13/h3,5,7H,4,6,8H2,1-2H3,(H,18,19)
InChIKey SPPNMKXOMPMICK-UHFFFAOYSA-N
Mol Weight 312.33 g/mol
Molecular Formula C16H16N4O3
Exact Mass 312.12224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4QHpkqo8sMP
Name 1,2,4-Oxadiazole, 3-(1,3-benzodioxol-5-yl)-5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.122240388 u
Formula C16H16N4O3
InChI InChI=1S/C16H16N4O3/c1-9-12(10(2)19-18-9)4-6-15-17-16(20-23-15)11-3-5-13-14(7-11)22-8-21-13/h3,5,7H,4,6,8H2,1-2H3,(H,18,19)
InChIKey SPPNMKXOMPMICK-UHFFFAOYSA-N
SMILES N1N=C(C(=C1C)CCC1=NC(=NO1)C1=CC=2OCOC2C=C1)C