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(2S)-2,6-dimethyl-3-oxidanylidene-4H-1,4-benzoxazine-2-carboxylic acid
SpectraBase Compound ID 2oOyJGqkKA5
InChI InChI=1S/C11H11NO4/c1-6-3-4-8-7(5-6)12-9(13)11(2,16-8)10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15)/t11-/m0/s1
InChIKey GRLHKEFUJXAGOA-NSHDSACASA-N
Mol Weight 221.21 g/mol
Molecular Formula C11H11NO4
Exact Mass 221.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmSLAP3AA4t
Name (2S)-2,6-dimethyl-3-oxidanylidene-4H-1,4-benzoxazine-2-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C11H11NO4
InChI InChI=1S/C11H11NO4/c1-6-3-4-8-7(5-6)12-9(13)11(2,16-8)10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15)/t11-/m0/s1
InChIKey GRLHKEFUJXAGOA-NSHDSACASA-N
Molecular Weight 221.212 g/mol
SMILES N1c2c(O[C@](C(=O)O)(C1=O)C)ccc(c2)C
SPLASH splash10-004i-0900000000-b1d297a6fc53b34b9ed9
Source of Spectrum QC-10-159-5
Synonyms (2S)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxylic acid (2S)-3-keto-2,6-dimethyl-4H-1,4-benzoxazine-2-carboxylic acid
Wiley ID 871046