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2-(3,4-Dimethoxyphenyl)-4H-1,3-oxazin-5(6H)-one
SpectraBase Compound ID 5ce3a9Y9KNj
InChI InChI=1S/C12H13NO4/c1-15-10-4-3-8(5-11(10)16-2)12-13-6-9(14)7-17-12/h3-5H,6-7H2,1-2H3
InChIKey BGRONKPBCHZDLG-UHFFFAOYSA-N
Mol Weight 235.24 g/mol
Molecular Formula C12H13NO4
Exact Mass 235.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34EnwCv1XLa
Name 2-(3,4-Dimethoxyphenyl)-4H-1,3-oxazin-5(6H)-one
CAS Registry Number 77580-73-5
Comments Removed - expert review: contamination (CHCl3); A corrected record has been addded having SpectrumID: 1821405
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO4
InChI InChI=1S/C12H13NO4/c1-15-10-4-3-8(5-11(10)16-2)12-13-6-9(14)7-17-12/h3-5H,6-7H2,1-2H3
InChIKey BGRONKPBCHZDLG-UHFFFAOYSA-N
Molecular Weight 235.239 g/mol
SMILES COc1ccc(cc1OC)C1=NCC(CO1)=O
SPLASH splash10-017r-9600000000-2d442dd18d2284efe369
Source of Spectrum W5-1989-36595-28941
Synonyms 2-(3,4-dimethoxyphenyl)-4H-1,3-oxazin-5-one 5,6-Dihydro-2-(3,4-dimethoxyphenyl)-4H-1,3-oxazin-5-one
Wiley ID 1237000