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1,2,3-Benzotriazine-3(4H)-acetic acid, 6,8-dibromo-.alpha.-(hydroxymethyl)-4-oxo-, (.+-.)-
SpectraBase Compound ID Bo5mOu5YFaw
InChI InChI=1S/C10H7Br2N3O4/c11-4-1-5-8(6(12)2-4)13-14-15(9(5)17)7(3-16)10(18)19/h1-2,7,16H,3H2,(H,18,19)
InChIKey ZNIWZCOVEYQPET-UHFFFAOYSA-N
Mol Weight 392.99 g/mol
Molecular Formula C10H7Br2N3O4
Exact Mass 390.880332 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfGuCEaV9B4
Name 1,2,3-Benzotriazine-3(4H)-acetic acid, 6,8-dibromo-.alpha.-(hydroxymethyl)-4-oxo-, (.+-.)-
CAS Registry Number 102118-07-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7Br2N3O4
InChI InChI=1S/C10H7Br2N3O4/c11-4-1-5-8(6(12)2-4)13-14-15(9(5)17)7(3-16)10(18)19/h1-2,7,16H,3H2,(H,18,19)
InChIKey ZNIWZCOVEYQPET-UHFFFAOYSA-N
Molecular Weight 392.991 g/mol
SMILES OC(C(CO)N1N=Nc2c(C1=O)cc(cc2Br)Br)=O
SPLASH splash10-03di-0393000000-ba8f78fab5bd989ff7c9
Source of Spectrum H-68-897-6
Synonyms 2-(6,8-Dibrom-4-oxo-1,2,3-benzotriazin-3-yl)-3-hydroxypropionsaure 2-(6,8-dibromo-4-oxo-1,2,3-benzotriazin-3(4H)-yl)-3-hydroxypropanoic acid
Wiley ID 1365237