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Butanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-

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

Butanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-
SpectraBase Compound ID 9MIVa7Fnexg
InChI InChI=1S/C35H41Cl3N4O3/c1-8-28(45-29-16-11-21(34(4,5)9-2)17-25(29)35(6,7)10-3)33(44)40-24-14-12-23(13-15-24)39-30-20-31(43)42(41-30)32-26(37)18-22(36)19-27(32)38/h11-19,28H,8-10,20H2,1-7H3,(H,39,41)(H,40,44)
InChIKey FYAOGNRWPBKGSM-UHFFFAOYSA-N
Mol Weight 672.1 g/mol
Molecular Formula C35H41Cl3N4O3
Exact Mass 670.224424 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DmEFJptSRM1
Name Butanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 670.224424293 u
Formula C35H41Cl3N4O3
InChI InChI=1S/C35H41Cl3N4O3/c1-8-28(45-29-16-11-21(34(4,5)9-2)17-25(29)35(6,7)10-3)33(44)40-24-14-12-23(13-15-24)39-30-20-31(43)42(41-30)32-26(37)18-22(36)19-27(32)38/h11-19,28H,8-10,20H2,1-7H3,(H,39,41)(H,40,44)
InChIKey FYAOGNRWPBKGSM-UHFFFAOYSA-N
Molecular Weight 672.097 g/mol
SMILES CCC(OC1=CC=C(C=C1C(C)(C)CC)C(C)(C)CC)C(=O)NC1=CC=C(NC2=NN(C(=O)C2)C2=C(Cl)C=C(Cl)C=C2Cl)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.895754