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2,7,14-Trimethyl-1,7,11-triazatricosan-12-one

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

2,7,14-Trimethyl-1,7,11-triazatricosan-12-one
SpectraBase Compound ID KdXFUEdGytM
InChI InChI=1S/C23H49N3O/c1-5-6-7-8-9-10-11-15-21(2)20-23(27)25-17-14-19-26(4)18-13-12-16-22(3)24/h21-22H,5-20,24H2,1-4H3,(H,25,27)
InChIKey YDCWWHDDXMPIBF-UHFFFAOYSA-N
Mol Weight 383.7 g/mol
Molecular Formula C23H49N3O
Exact Mass 383.387563 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CvxS98mkYwI
Name 2,7,14-Trimethyl-1,7,11-triazatricosan-12-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.387563209 u
Formula C23H49N3O
InChI InChI=1S/C23H49N3O/c1-5-6-7-8-9-10-11-15-21(2)20-23(27)25-17-14-19-26(4)18-13-12-16-22(3)24/h21-22H,5-20,24H2,1-4H3,(H,25,27)
InChIKey YDCWWHDDXMPIBF-UHFFFAOYSA-N
Molecular Weight 383.665 g/mol
SMILES C(=O)(NCCCN(CCCCC(N)C)C)CC(CCCCCCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948279