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N-(furan-2-ylmethyl)-4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamide

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

N-(furan-2-ylmethyl)-4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamide
SpectraBase Compound ID 55WGw31P9Gi
InChI InChI=1S/C14H18IN3O2/c1-10-14(15)11(2)18(17-10)7-3-6-13(19)16-9-12-5-4-8-20-12/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,19)
InChIKey XFFKDFWMJTWQED-UHFFFAOYSA-N
Mol Weight 387.22 g/mol
Molecular Formula C14H18IN3O2
Exact Mass 387.044372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 25Jsk8ddpE8
Name N-(Furan-2-ylmethyl)-4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.044371830 u
Formula C14H18IN3O2
InChI InChI=1S/C14H18IN3O2/c1-10-14(15)11(2)18(17-10)7-3-6-13(19)16-9-12-5-4-8-20-12/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,19)
InChIKey XFFKDFWMJTWQED-UHFFFAOYSA-N
Molecular Weight 387.221 g/mol
SMILES C1=C(OC=C1)CNC(=O)CCCN1N=C(C(=C1C)I)C