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2,2,6-trimethyl-4H-1,4-benzoxazin-3-one

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

2,2,6-trimethyl-4H-1,4-benzoxazin-3-one
SpectraBase Compound ID 4e5f3O4G2Ug
InChI InChI=1S/C11H13NO2/c1-7-4-5-9-8(6-7)12-10(13)11(2,3)14-9/h4-6H,1-3H3,(H,12,13)
InChIKey ZFVLXVXZFNWHAK-UHFFFAOYSA-N
Mol Weight 191.23 g/mol
Molecular Formula C11H13NO2
Exact Mass 191.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 46AhsWd5W9o
Name 2,2,6-Trimethyl-4H-1,4-benzoxazin-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 191.094628661 u
Formula C11H13NO2
InChI InChI=1S/C11H13NO2/c1-7-4-5-9-8(6-7)12-10(13)11(2,3)14-9/h4-6H,1-3H3,(H,12,13)
InChIKey ZFVLXVXZFNWHAK-UHFFFAOYSA-N
Molecular Weight 191.230 g/mol
SMILES C1(NC=2C(OC1(C)C)=CC=C(C2)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972637