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6-Chloro-2,3-dihydro-3-oxo-4H-1,4-benzoxazine-4-propanenitrile

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

6-Chloro-2,3-dihydro-3-oxo-4H-1,4-benzoxazine-4-propanenitrile
SpectraBase Compound ID JQNzOmleEdp
InChI InChI=1S/C11H9ClN2O2/c12-8-2-3-10-9(6-8)14(5-1-4-13)11(15)7-16-10/h2-3,6H,1,5,7H2
InChIKey WLSJNBIUCRGWQJ-UHFFFAOYSA-N
Mol Weight 236.66 g/mol
Molecular Formula C11H9ClN2O2
Exact Mass 236.035255 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5qJQsSB5FFa
Name 6-Chloro-2,3-dihydro-3-oxo-4H-1,4-benzoxazine-4-propanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.035255236 u
Formula C11H9ClN2O2
InChI InChI=1S/C11H9ClN2O2/c12-8-2-3-10-9(6-8)14(5-1-4-13)11(15)7-16-10/h2-3,6H,1,5,7H2
InChIKey WLSJNBIUCRGWQJ-UHFFFAOYSA-N
Molecular Weight 236.658 g/mol
SMILES C1=2N(C(COC2C=CC(=C1)Cl)=O)CCC#N
Spectrum/Structure Validation Score (Raman) 0.791765