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7-Nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

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7-Nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
SpectraBase Compound ID 6YGBeSndP2C
InChI InChI=1S/C10H10N2O3/c13-10-3-1-2-7-6-8(12(14)15)4-5-9(7)11-10/h4-6H,1-3H2,(H,11,13)
InChIKey ASVGSXZZZWXPRE-UHFFFAOYSA-N
Mol Weight 206.2 g/mol
Molecular Formula C10H10N2O3
Exact Mass 206.069142 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5BLUvkPuQpn
Name 7-Nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.069142187 u
Formula C10H10N2O3
InChI InChI=1S/C10H10N2O3/c13-10-3-1-2-7-6-8(12(14)15)4-5-9(7)11-10/h4-6H,1-3H2,(H,11,13)
InChIKey ASVGSXZZZWXPRE-UHFFFAOYSA-N
Molecular Weight 206.201 g/mol
SMILES C1(N(=O)=O)=CC2=C(NC(=O)CCC2)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89216