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6-Hydroxy-7-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one

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

6-Hydroxy-7-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one
SpectraBase Compound ID Iu8i5kdZidx
InChI InChI=1S/C10H10N2O4/c13-9-3-1-2-6-7(11-9)4-5-8(10(6)14)12(15)16/h4-5,14H,1-3H2,(H,11,13)
InChIKey XDEFBFIICHIDEJ-UHFFFAOYSA-N
Mol Weight 222.2 g/mol
Molecular Formula C10H10N2O4
Exact Mass 222.064057 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 28wSHDHSsOY
Name 6-Hydroxy-7-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.064056806 u
Formula C10H10N2O4
InChI InChI=1S/C10H10N2O4/c13-9-3-1-2-6-7(11-9)4-5-8(10(6)14)12(15)16/h4-5,14H,1-3H2,(H,11,13)
InChIKey XDEFBFIICHIDEJ-UHFFFAOYSA-N
Molecular Weight 222.200 g/mol
SMILES C=1(N(=O)=O)C(=C2CCCC(NC2=CC1)=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930595