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1-Pyridin-3-yl-1,4-diazepane, N-acetyl-

View entire compound with spectra: 1 FTIR

1-Pyridin-3-yl-1,4-diazepane, N-acetyl-
SpectraBase Compound ID IDKMzAlHeL3
InChI InChI=1S/C12H17N3O/c1-11(16)14-6-3-7-15(9-8-14)12-4-2-5-13-10-12/h2,4-5,10H,3,6-9H2,1H3
InChIKey FRYQWXUZKNQMDX-UHFFFAOYSA-N
Mol Weight 219.29 g/mol
Molecular Formula C12H17N3O
Exact Mass 219.137162 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cl7a6bkCMO
Name 1-Pyridin-3-yl-1,4-diazepane, N-acetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.137162178 u
Formula C12H17N3O
InChI InChI=1S/C12H17N3O/c1-11(16)14-6-3-7-15(9-8-14)12-4-2-5-13-10-12/h2,4-5,10H,3,6-9H2,1H3
InChIKey FRYQWXUZKNQMDX-UHFFFAOYSA-N
Molecular Weight 219.288 g/mol
SMILES C1N(CCCN(C1)C(C)=O)C1=CN=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917423