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6-chloranyl-1H-4,1-benzoxazepine-2,5-dione

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6-chloranyl-1H-4,1-benzoxazepine-2,5-dione
SpectraBase Compound ID 3KLrKLRRhKI
InChI InChI=1S/C9H6ClNO3/c10-5-2-1-3-6-8(5)9(13)14-4-7(12)11-6/h1-3H,4H2,(H,11,12)
InChIKey NTPZEGHPXQAFNU-UHFFFAOYSA-N
Mol Weight 211.6 g/mol
Molecular Formula C9H6ClNO3
Exact Mass 211.003621 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CrZ2nLr73Dk
Name 6-Chloranyl-1H-4,1-benzoxazepine-2,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 211.003620754 u
Formula C9H6ClNO3
InChI InChI=1S/C9H6ClNO3/c10-5-2-1-3-6-8(5)9(13)14-4-7(12)11-6/h1-3H,4H2,(H,11,12)
InChIKey NTPZEGHPXQAFNU-UHFFFAOYSA-N
Molecular Weight 211.604 g/mol
SMILES C=12C(NC(=O)COC2=O)=CC=CC1Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943061