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5-Acetyl-2-methoxy-(2H)-1,4-benzoxazin-3(4H)-one

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

5-Acetyl-2-methoxy-(2H)-1,4-benzoxazin-3(4H)-one
SpectraBase Compound ID 3wUhZWbIFxa
InChI InChI=1S/C11H11NO4/c1-6(13)7-4-3-5-8-9(7)12-10(14)11(15-2)16-8/h3-5,11H,1-2H3,(H,12,14)
InChIKey SWUGVUYRIUDLQJ-UHFFFAOYSA-N
Mol Weight 221.21 g/mol
Molecular Formula C11H11NO4
Exact Mass 221.068808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C5gF8DFO4cY
Name 5-Acetyl-2-methoxy-(2H)-1,4-benzoxazin-3(4H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.068807834 u
Formula C11H11NO4
InChI InChI=1S/C11H11NO4/c1-6(13)7-4-3-5-8-9(7)12-10(14)11(15-2)16-8/h3-5,11H,1-2H3,(H,12,14)
InChIKey SWUGVUYRIUDLQJ-UHFFFAOYSA-N
Molecular Weight 221.212 g/mol
SMILES C(=O)(C)C1=C2NC(=O)C(OC)OC2=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882771