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N-(4,4-Diethoxybut-2-ynyl)benzamide

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

N-(4,4-Diethoxybut-2-ynyl)benzamide
SpectraBase Compound ID 8n0VWw4H4xT
InChI InChI=1S/C15H19NO3/c1-3-18-14(19-4-2)11-8-12-16-15(17)13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,12H2,1-2H3,(H,16,17)
InChIKey IYGXLSITDUPSLY-UHFFFAOYSA-N
Mol Weight 261.32 g/mol
Molecular Formula C15H19NO3
Exact Mass 261.136493 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9swsO02ARnc
Name N-(4,4-Diethoxybut-2-ynyl)benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.136493473 u
Formula C15H19NO3
InChI InChI=1S/C15H19NO3/c1-3-18-14(19-4-2)11-8-12-16-15(17)13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,12H2,1-2H3,(H,16,17)
InChIKey IYGXLSITDUPSLY-UHFFFAOYSA-N
Molecular Weight 261.321 g/mol
SMILES C(C=1C=CC=CC1)(=O)NCC#CC(OCC)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.842701