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2-(Benzoylmethylene)-octahydrobenzimidazole

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

2-(Benzoylmethylene)-octahydrobenzimidazole
SpectraBase Compound ID 3NFkt0JnPkd
InChI InChI=1S/C15H18N2O/c18-14(11-6-2-1-3-7-11)10-15-16-12-8-4-5-9-13(12)17-15/h1-3,6-7,10,12-13,16-17H,4-5,8-9H2
InChIKey BHCZMBYLXKSDOR-UHFFFAOYSA-N
Mol Weight 242.32 g/mol
Molecular Formula C15H18N2O
Exact Mass 242.141913 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KK9mklQjSFA
Name 2-(Benzoylmethylene)-octahydrobenzimidazole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.141913207 u
Formula C15H18N2O
InChI InChI=1S/C15H18N2O/c18-14(11-6-2-1-3-7-11)10-15-16-12-8-4-5-9-13(12)17-15/h1-3,6-7,10,12-13,16-17H,4-5,8-9H2
InChIKey BHCZMBYLXKSDOR-UHFFFAOYSA-N
Molecular Weight 242.322 g/mol
SMILES C1(=CC(=O)C2=CC=CC=C2)NC2CCCCC2N1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89277