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1H-Pyrazole-1-butanamide, N-(1,3-benzodioxol-5-yl)-4-iodo-3,5-dimethyl-

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1H-Pyrazole-1-butanamide, N-(1,3-benzodioxol-5-yl)-4-iodo-3,5-dimethyl-
SpectraBase Compound ID 6Ho2fEicvLC
InChI InChI=1S/C16H18IN3O3/c1-10-16(17)11(2)20(19-10)7-3-4-15(21)18-12-5-6-13-14(8-12)23-9-22-13/h5-6,8H,3-4,7,9H2,1-2H3,(H,18,21)
InChIKey DLGPSCLUDHTGME-UHFFFAOYSA-N
Mol Weight 427.24 g/mol
Molecular Formula C16H18IN3O3
Exact Mass 427.039286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3WgYhrMwmQP
Name 1H-Pyrazole-1-butanamide, N-(1,3-benzodioxol-5-yl)-4-iodo-3,5-dimethyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.039286449 u
Formula C16H18IN3O3
InChI InChI=1S/C16H18IN3O3/c1-10-16(17)11(2)20(19-10)7-3-4-15(21)18-12-5-6-13-14(8-12)23-9-22-13/h5-6,8H,3-4,7,9H2,1-2H3,(H,18,21)
InChIKey DLGPSCLUDHTGME-UHFFFAOYSA-N
Molecular Weight 427.242 g/mol
SMILES C=1C2=C(C=CC1NC(=O)CCCN1N=C(C(=C1C)I)C)OCO2