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3'-Hydroxybenzo[1',2'-B]-1,4-diazabicyclo[2.2.2]octene

View entire compound with spectra: 1 FTIR

3'-Hydroxybenzo[1',2'-B]-1,4-diazabicyclo[2.2.2]octene
SpectraBase Compound ID BSfGMSAGDkZ
InChI InChI=1S/C10H12N2O/c13-9-3-1-2-8-10(9)12-6-4-11(8)5-7-12/h1-3,13H,4-7H2
InChIKey RSJBFPXRLGYGJS-UHFFFAOYSA-N
Mol Weight 176.22 g/mol
Molecular Formula C10H12N2O
Exact Mass 176.094963 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2mQuh7TN29T
Name 3'-Hydroxybenzo[1',2'-B]-1,4-diazabicyclo[2.2.2]octene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 176.094963013 u
Formula C10H12N2O
InChI InChI=1S/C10H12N2O/c13-9-3-1-2-8-10(9)12-6-4-11(8)5-7-12/h1-3,13H,4-7H2
InChIKey RSJBFPXRLGYGJS-UHFFFAOYSA-N
Molecular Weight 176.219 g/mol
SMILES C12=C(C(=CC=C2)O)N2CCN1CC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.852427