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N,N'-(Hexamethylenebis(oxy-p-phenylenetrimethylene))diacetamide

View entire compound with spectra: 1 NMR, and 1 FTIR

N,N'-(Hexamethylenebis(oxy-p-phenylenetrimethylene))diacetamide
SpectraBase Compound ID 232OjAgdjhl
InChI InChI=1S/C28H40N2O4/c1-23(31)29-19-7-9-25-11-15-27(16-12-25)33-21-5-3-4-6-22-34-28-17-13-26(14-18-28)10-8-20-30-24(2)32/h11-18H,3-10,19-22H2,1-2H3,(H,29,31)(H,30,32)
InChIKey CNYYQPHSKYXTLD-UHFFFAOYSA-N
Mol Weight 468.6 g/mol
Molecular Formula C28H40N2O4
Exact Mass 468.298808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8P5v0j8ca7N
Name N,N'-(Hexamethylenebis(oxy-p-phenylenetrimethylene))diacetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.298807772 u
Formula C28H40N2O4
InChI InChI=1S/C28H40N2O4/c1-23(31)29-19-7-9-25-11-15-27(16-12-25)33-21-5-3-4-6-22-34-28-17-13-26(14-18-28)10-8-20-30-24(2)32/h11-18H,3-10,19-22H2,1-2H3,(H,29,31)(H,30,32)
InChIKey CNYYQPHSKYXTLD-UHFFFAOYSA-N
Molecular Weight 468.638 g/mol
SMILES C1=C(C=CC(=C1)CCCNC(=O)C)OCCCCCCOC1=CC=C(C=C1)CCCNC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826635