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1,2,3-Benzotriazine-3(4H)-acetic acid, 6,8-dibromo-4-oxo-
SpectraBase Compound ID 8r9V3e9F1l8
InChI InChI=1S/C9H5Br2N3O3/c10-4-1-5-8(6(11)2-4)12-13-14(9(5)17)3-7(15)16/h1-2H,3H2,(H,15,16)
InChIKey JMFKXTKYYVVYLL-UHFFFAOYSA-N
Mol Weight 362.97 g/mol
Molecular Formula C9H5Br2N3O3
Exact Mass 360.869767 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aJ08zVqeky
Name 1,2,3-Benzotriazine-3(4H)-acetic acid, 6,8-dibromo-4-oxo-
CAS Registry Number 102117-98-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5Br2N3O3
InChI InChI=1S/C9H5Br2N3O3/c10-4-1-5-8(6(11)2-4)12-13-14(9(5)17)3-7(15)16/h1-2H,3H2,(H,15,16)
InChIKey JMFKXTKYYVVYLL-UHFFFAOYSA-N
Molecular Weight 362.965 g/mol
SMILES OC(CN1N=Nc2c(C1=O)cc(cc2Br)Br)=O
SPLASH splash10-0il0-0594000000-6fe6c3aa1b8501eb0586
Source of Spectrum H-68-897-6
Synonyms (6,8-dibrom-4-oxo-1,2,3-benzotriazin-3-yl)essigsaure (6,8-dibromo-4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetic acid
Wiley ID 1348794