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1H-Pyrazole-1-butanamide, 4-iodo-3,5-dimethyl-N-(5-methyl-3-isoxazolyl)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1H-Pyrazole-1-butanamide, 4-iodo-3,5-dimethyl-N-(5-methyl-3-isoxazolyl)-
SpectraBase Compound ID ERpzXx3oLF
InChI InChI=1S/C13H17IN4O2/c1-8-7-11(17-20-8)15-12(19)5-4-6-18-10(3)13(14)9(2)16-18/h7H,4-6H2,1-3H3,(H,15,17,19)
InChIKey DARQBOUHLGERRY-UHFFFAOYSA-N
Mol Weight 388.21 g/mol
Molecular Formula C13H17IN4O2
Exact Mass 388.039621 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BcxwuIc6Nbj
Name 1H-Pyrazole-1-butanamide, 4-iodo-3,5-dimethyl-N-(5-methyl-3-isoxazolyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.039620801 u
Formula C13H17IN4O2
InChI InChI=1S/C13H17IN4O2/c1-8-7-11(17-20-8)15-12(19)5-4-6-18-10(3)13(14)9(2)16-18/h7H,4-6H2,1-3H3,(H,15,17,19)
InChIKey DARQBOUHLGERRY-UHFFFAOYSA-N
Molecular Weight 388.209 g/mol
SMILES C1(=NOC(=C1)C)NC(=O)CCCN1N=C(C(=C1C)I)C