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Benzamide, 4-(tert-butyl)-N-(2-cyano-4,5-diethoxyphenyl)-
SpectraBase Compound ID KOxtTdOWfla
InChI InChI=1S/C22H26N2O3/c1-6-26-19-12-16(14-23)18(13-20(19)27-7-2)24-21(25)15-8-10-17(11-9-15)22(3,4)5/h8-13H,6-7H2,1-5H3,(H,24,25)
InChIKey NTNVTWXEIPFLLP-UHFFFAOYSA-N
Mol Weight 366.46 g/mol
Molecular Formula C22H26N2O3
Exact Mass 366.194343 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1OLdsvewC9x
Name Benzamide, 4-(tert-butyl)-N-(2-cyano-4,5-diethoxyphenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.194342702 u
Formula C22H26N2O3
InChI InChI=1S/C22H26N2O3/c1-6-26-19-12-16(14-23)18(13-20(19)27-7-2)24-21(25)15-8-10-17(11-9-15)22(3,4)5/h8-13H,6-7H2,1-5H3,(H,24,25)
InChIKey NTNVTWXEIPFLLP-UHFFFAOYSA-N
Molecular Weight 366.461 g/mol
SMILES C1(NC(C=2C=CC(C(C)(C)C)=CC2)=O)=C(C#N)C=C(C(=C1)OCC)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947141