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1-{4-[(3,4-dimethylphenoxy)methyl]benzoyl}-4-iodo-1H-pyrazole

View entire compound with spectra: 2 NMR

1-{4-[(3,4-dimethylphenoxy)methyl]benzoyl}-4-iodo-1H-pyrazole
SpectraBase Compound ID K61JsLqsfmx
InChI InChI=1S/C19H17IN2O2/c1-13-3-8-18(9-14(13)2)24-12-15-4-6-16(7-5-15)19(23)22-11-17(20)10-21-22/h3-11H,12H2,1-2H3
InChIKey XOHPJKRGVWTDEY-UHFFFAOYSA-N
Mol Weight 432.26 g/mol
Molecular Formula C19H17IN2O2
Exact Mass 432.033473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5jkOTMQVLXI
Name 1-{4-[(3,4-Dimethylphenoxy)methyl]benzoyl}-4-iodo-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.033472793 u
Formula C19H17IN2O2
InChI InChI=1S/C19H17IN2O2/c1-13-3-8-18(9-14(13)2)24-12-15-4-6-16(7-5-15)19(23)22-11-17(20)10-21-22/h3-11H,12H2,1-2H3
InChIKey XOHPJKRGVWTDEY-UHFFFAOYSA-N
Molecular Weight 432.261 g/mol
SMILES CC1=CC=C(C=C1C)OCC=1C=CC(C(N2N=CC(=C2)I)=O)=CC1