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Methyl (6-chloro-2H-1,4-benzoxazin-3(4H)-one-2-yl) acetate

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

Methyl (6-chloro-2H-1,4-benzoxazin-3(4H)-one-2-yl) acetate
SpectraBase Compound ID AT1L3RS1j32
InChI InChI=1S/C11H10ClNO4/c1-16-10(14)5-9-11(15)13-7-4-6(12)2-3-8(7)17-9/h2-4,9H,5H2,1H3,(H,13,15)
InChIKey CNOULAOXZGSIEF-UHFFFAOYSA-N
Mol Weight 255.66 g/mol
Molecular Formula C11H10ClNO4
Exact Mass 255.029836 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID IJQlsE3CcnR
Name Methyl (6-chloro-2H-1,4-benzoxazin-3(4H)-one-2-yl) acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 255.029835502 u
Formula C11H10ClNO4
InChI InChI=1S/C11H10ClNO4/c1-16-10(14)5-9-11(15)13-7-4-6(12)2-3-8(7)17-9/h2-4,9H,5H2,1H3,(H,13,15)
InChIKey CNOULAOXZGSIEF-UHFFFAOYSA-N
Molecular Weight 255.657 g/mol
SMILES C12=C(OC(C(N2)=O)CC(OC)=O)C=CC(=C1)Cl
Spectrum/Structure Validation Score (Raman) 0.828161