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Butanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-methyl-
SpectraBase Compound ID Tcscqm9yNH
InChI InChI=1S/C21H35NO2/c1-9-17(19(23)22-8)24-18-13-12-15(20(4,5)10-2)14-16(18)21(6,7)11-3/h12-14,17H,9-11H2,1-8H3,(H,22,23)
InChIKey PHKUXUQZWRQPRC-UHFFFAOYSA-N
Mol Weight 333.5 g/mol
Molecular Formula C21H35NO2
Exact Mass 333.266779 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9B8csMeXNYw
Name Butanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.266779369 u
Formula C21H35NO2
InChI InChI=1S/C21H35NO2/c1-9-17(19(23)22-8)24-18-13-12-15(20(4,5)10-2)14-16(18)21(6,7)11-3/h12-14,17H,9-11H2,1-8H3,(H,22,23)
InChIKey PHKUXUQZWRQPRC-UHFFFAOYSA-N
Molecular Weight 333.516 g/mol
SMILES CCC(OC1=CC=C(C=C1C(C)(C)CC)C(C)(C)CC)C(=O)NC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937352