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1,2,3-Benzotriazine-3(4H)-propanoic acid, 6,8-dibromo-4-oxo-
SpectraBase Compound ID 3j9iE3NxYq
InChI InChI=1S/C10H7Br2N3O3/c11-5-3-6-9(7(12)4-5)13-14-15(10(6)18)2-1-8(16)17/h3-4H,1-2H2,(H,16,17)
InChIKey WVYBBGBBZPPKBE-UHFFFAOYSA-N
Mol Weight 376.99 g/mol
Molecular Formula C10H7Br2N3O3
Exact Mass 374.885417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vuzwdkklke
Name 1,2,3-Benzotriazine-3(4H)-propanoic acid, 6,8-dibromo-4-oxo-
CAS Registry Number 102118-02-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7Br2N3O3
InChI InChI=1S/C10H7Br2N3O3/c11-5-3-6-9(7(12)4-5)13-14-15(10(6)18)2-1-8(16)17/h3-4H,1-2H2,(H,16,17)
InChIKey WVYBBGBBZPPKBE-UHFFFAOYSA-N
Molecular Weight 376.992 g/mol
SMILES OC(CCN1C(c2c(N=N1)c(Br)cc(c2)Br)=O)=O
SPLASH splash10-0fsl-0497000000-6954bef3a256832af28c
Source of Spectrum H-68-897-6
Synonyms 3-(6,8-Dibrom-4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid 3-(6,8-dibromo-4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid
Wiley ID 1357049