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1,4,7-Triazacyclononane, 1-benzoyl-

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

1,4,7-Triazacyclononane, 1-benzoyl-
SpectraBase Compound ID 8o66F8TR4K0
InChI InChI=1S/C13H19N3O/c17-13(12-4-2-1-3-5-12)16-10-8-14-6-7-15-9-11-16/h1-5,14-15H,6-11H2
InChIKey LOWBXBZYLSZZSH-UHFFFAOYSA-N
Mol Weight 233.31 g/mol
Molecular Formula C13H19N3O
Exact Mass 233.152812 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AX8xsiWVfmR
Name 1,4,7-Triazacyclononane, 1-benzoyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.152812243 u
Formula C13H19N3O
InChI InChI=1S/C13H19N3O/c17-13(12-4-2-1-3-5-12)16-10-8-14-6-7-15-9-11-16/h1-5,14-15H,6-11H2
InChIKey LOWBXBZYLSZZSH-UHFFFAOYSA-N
Molecular Weight 233.315 g/mol
SMILES C1NCCN(CCNC1)C(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.877276