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1,2,4-Oxadiazole-5-carboxamide, 3-(1,3-benzodioxol-5-yl)-N-[3-(2-methyl-1H-imidazol-1-yl)propyl]-
SpectraBase Compound ID GOGUqArWfgw
InChI InChI=1S/C17H17N5O4/c1-11-18-6-8-22(11)7-2-5-19-16(23)17-20-15(21-26-17)12-3-4-13-14(9-12)25-10-24-13/h3-4,6,8-9H,2,5,7,10H2,1H3,(H,19,23)
InChIKey MPUBNLJZCLYZNE-UHFFFAOYSA-N
Mol Weight 355.35 g/mol
Molecular Formula C17H17N5O4
Exact Mass 355.128054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62CTjTd7Iww
Name 1,2,4-Oxadiazole-5-carboxamide, 3-(1,3-benzodioxol-5-yl)-N-[3-(2-methyl-1H-imidazol-1-yl)propyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.128054043 u
Formula C17H17N5O4
InChI InChI=1S/C17H17N5O4/c1-11-18-6-8-22(11)7-2-5-19-16(23)17-20-15(21-26-17)12-3-4-13-14(9-12)25-10-24-13/h3-4,6,8-9H,2,5,7,10H2,1H3,(H,19,23)
InChIKey MPUBNLJZCLYZNE-UHFFFAOYSA-N
Molecular Weight 355.354 g/mol
SMILES C(CCN1C(C)=NC=C1)NC(C1=NC(C=2C=C3C(=CC2)OCO3)=NO1)=O