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1,2,3-Benzotriazine-3(4H)-butanoic acid, 6-bromo-4-oxo-
SpectraBase Compound ID F3hzMLVumzp
InChI InChI=1S/C11H10BrN3O3/c12-7-3-4-9-8(6-7)11(18)15(14-13-9)5-1-2-10(16)17/h3-4,6H,1-2,5H2,(H,16,17)
InChIKey MELUPCBQFXQBHE-UHFFFAOYSA-N
Mol Weight 312.12 g/mol
Molecular Formula C11H10BrN3O3
Exact Mass 310.990554 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KAeFy8Htd3u
Name 1,2,3-Benzotriazine-3(4H)-butanoic acid, 6-bromo-4-oxo-
CAS Registry Number 102118-09-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10BrN3O3
InChI InChI=1S/C11H10BrN3O3/c12-7-3-4-9-8(6-7)11(18)15(14-13-9)5-1-2-10(16)17/h3-4,6H,1-2,5H2,(H,16,17)
InChIKey MELUPCBQFXQBHE-UHFFFAOYSA-N
Molecular Weight 312.123 g/mol
SMILES OC(CCCN1C(=O)c2c(N=N1)ccc(Br)c2)=O
SPLASH splash10-08n9-0792000000-fea3c744eff385f5eda3
Source of Spectrum H-68-897-6
Synonyms 4-(6-brom-4-oxo-1,2,3-benzotriazin-3-yl)buttersaure 4-(6-bromo-4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoic acid
Wiley ID 1312188