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2-(2-Hydroxyethyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

View entire compound with spectra: 1 NMR, and 1 FTIR

2-(2-Hydroxyethyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
SpectraBase Compound ID DPT7zmV07h6
InChI InChI=1S/C14H10N2O5/c17-5-4-15-13(18)10-3-1-2-8-6-9(16(20)21)7-11(12(8)10)14(15)19/h1-3,6-7,17H,4-5H2
InChIKey DZWAVLDRXDPZOM-UHFFFAOYSA-N
Mol Weight 286.24 g/mol
Molecular Formula C14H10N2O5
Exact Mass 286.058971 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3g4AHHAQbBg
Name 2-(2-Hydroxyethyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.058971425 u
Formula C14H10N2O5
InChI InChI=1S/C14H10N2O5/c17-5-4-15-13(18)10-3-1-2-8-6-9(16(20)21)7-11(12(8)10)14(15)19/h1-3,6-7,17H,4-5H2
InChIKey DZWAVLDRXDPZOM-UHFFFAOYSA-N
SMILES C1(N(=O)=O)=CC2=C3C(=C1)C(=O)N(C(C3=CC=C2)=O)CCO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923932