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5-Nitro-3,4-dihydro-1H-quinolin-2-one

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

5-Nitro-3,4-dihydro-1H-quinolin-2-one
SpectraBase Compound ID KrY7l9ctFti
InChI InChI=1S/C9H8N2O3/c12-9-5-4-6-7(10-9)2-1-3-8(6)11(13)14/h1-3H,4-5H2,(H,10,12)
InChIKey KMXZMXUXZVCNNN-UHFFFAOYSA-N
Mol Weight 192.17 g/mol
Molecular Formula C9H8N2O3
Exact Mass 192.053492 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5yowxdcH6mW
Name 5-Nitro-3,4-dihydro-1H-quinolin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 192.053492123 u
Formula C9H8N2O3
InChI InChI=1S/C9H8N2O3/c12-9-5-4-6-7(10-9)2-1-3-8(6)11(13)14/h1-3H,4-5H2,(H,10,12)
InChIKey KMXZMXUXZVCNNN-UHFFFAOYSA-N
Molecular Weight 192.174 g/mol
SMILES C=1(N(=O)=O)C2=C(NC(CC2)=O)C=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.821722