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1H-Pyrazole-1-butanamide, N-(3-chloro-4-methylphenyl)-4-iodo-3,5-dimethyl-

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1H-Pyrazole-1-butanamide, N-(3-chloro-4-methylphenyl)-4-iodo-3,5-dimethyl-
SpectraBase Compound ID KsRQhED7xfa
InChI InChI=1S/C16H19ClIN3O/c1-10-6-7-13(9-14(10)17)19-15(22)5-4-8-21-12(3)16(18)11(2)20-21/h6-7,9H,4-5,8H2,1-3H3,(H,19,22)
InChIKey MQGBAZDKWSRPQH-UHFFFAOYSA-N
Mol Weight 431.71 g/mol
Molecular Formula C16H19ClIN3O
Exact Mass 431.026135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Cp0f6qbWcI
Name 1H-Pyrazole-1-butanamide, N-(3-chloro-4-methylphenyl)-4-iodo-3,5-dimethyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.026134943 u
Formula C16H19ClIN3O
InChI InChI=1S/C16H19ClIN3O/c1-10-6-7-13(9-14(10)17)19-15(22)5-4-8-21-12(3)16(18)11(2)20-21/h6-7,9H,4-5,8H2,1-3H3,(H,19,22)
InChIKey MQGBAZDKWSRPQH-UHFFFAOYSA-N
Molecular Weight 431.705 g/mol
SMILES C1(=CC(=C(C=C1)C)Cl)NC(=O)CCCN1N=C(C(=C1C)I)C