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(2E)-6-bromo-2-ethylidene-1,4-benzoxazine-3-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(2E)-6-bromo-2-ethylidene-1,4-benzoxazine-3-carboxylic acid methyl ester
SpectraBase Compound ID Fms0FsYtYO1
InChI InChI=1S/C12H10BrNO3/c1-3-9-11(12(15)16-2)14-8-6-7(13)4-5-10(8)17-9/h3-6H,1-2H3/b9-3+
InChIKey BLDZATMZHMRNMJ-YCRREMRBSA-N
Mol Weight 296.12 g/mol
Molecular Formula C12H10BrNO3
Exact Mass 294.984406 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4BmkUIxgJc
Name (2E)-6-bromo-2-ethylidene-1,4-benzoxazine-3-carboxylic acid methyl ester
Alternate Name(s) Methyl (2E)-6-bromanyl-2-ethylidene-1,4-benzoxazine-3-carboxylate Methyl (2E)-6-bromo-2-ethylidene-1,4-benzoxazine-3-carboxylate
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Formula C12H10BrNO3
InChI InChI=1S/C12H10BrNO3/c1-3-9-11(12(15)16-2)14-8-6-7(13)4-5-10(8)17-9/h3-6H,1-2H3/b9-3+
InChIKey BLDZATMZHMRNMJ-YCRREMRBSA-N
Molecular Weight 296.120 g/mol
SMILES C1(=Nc2cc(Br)ccc2O\C1=C/C)C(=O)OC
SPLASH splash10-0019-2690000000-9ad9dc648ee121466847
Source of Spectrum K1-2003-994-29
Wiley ID 1520817