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5-Methyl-11-benzimidazolo[1,2-b]isoquinolinone

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

5-Methyl-11-benzimidazolo[1,2-b]isoquinolinone
SpectraBase Compound ID 1Z41oIkbCag
InChI InChI=1S/C16H12N2O/c1-17-13-8-4-5-9-14(13)18-15(17)10-11-6-2-3-7-12(11)16(18)19/h2-10H,1H3
InChIKey NXSVSCGNKZSPMT-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C16H12N2O
Exact Mass 248.094963 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EIVzPKmVJaT
Name 5-Methyl-11-benzimidazolo[1,2-B]isoquinolinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.094963013 u
Formula C16H12N2O
InChI InChI=1S/C16H12N2O/c1-17-13-8-4-5-9-14(13)18-15(17)10-11-6-2-3-7-12(11)16(18)19/h2-10H,1H3
InChIKey NXSVSCGNKZSPMT-UHFFFAOYSA-N
Molecular Weight 248.285 g/mol
SMILES C=12N(C=3C(N2C)=CC=CC3)C(C2=C(C1)C=CC=C2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826822