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1,2,3-Benzotriazine-3(4H)-propanoic acid, 6-chloro-4-oxo-
SpectraBase Compound ID EstnqJ5Mtit
InChI InChI=1S/C10H8ClN3O3/c11-6-1-2-8-7(5-6)10(17)14(13-12-8)4-3-9(15)16/h1-2,5H,3-4H2,(H,15,16)
InChIKey ICJGHJWDWZVCPT-UHFFFAOYSA-N
Mol Weight 253.64 g/mol
Molecular Formula C10H8ClN3O3
Exact Mass 253.025419 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2EKkhVTyaO
Name 1,2,3-Benzotriazine-3(4H)-propanoic acid, 6-chloro-4-oxo-
CAS Registry Number 51672-72-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8ClN3O3
InChI InChI=1S/C10H8ClN3O3/c11-6-1-2-8-7(5-6)10(17)14(13-12-8)4-3-9(15)16/h1-2,5H,3-4H2,(H,15,16)
InChIKey ICJGHJWDWZVCPT-UHFFFAOYSA-N
Molecular Weight 253.645 g/mol
SMILES OC(CCN1C(=O)c2c(N=N1)ccc(Cl)c2)=O
SPLASH splash10-0uxu-0910000000-bb1544a558107e7e6142
Source of Spectrum H-68-897-6
Synonyms 3-(6-Chlor-4-oxo-1,2,3-benzotriazin-3-yl)propanic acid 3-(6-Chloro-4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid 3-(6-Chloro-4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid 3-(6-Chloranyl-4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoic acid
Wiley ID 1256536