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1,2,3-Benzotriazine-3(4H)-acetic acid, 6-chloro-.alpha.-(hydroxymethyl)-4-oxo-, (.+-.)-
SpectraBase Compound ID EfGUI0Ofd4U
InChI InChI=1S/C10H8ClN3O4/c11-5-1-2-7-6(3-5)9(16)14(13-12-7)8(4-15)10(17)18/h1-3,8,15H,4H2,(H,17,18)
InChIKey IGFSVEXPKYOPRU-UHFFFAOYSA-N
Mol Weight 269.64 g/mol
Molecular Formula C10H8ClN3O4
Exact Mass 269.020333 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENXgvLLAm0F
Name 1,2,3-Benzotriazine-3(4H)-acetic acid, 6-chloro-.alpha.-(hydroxymethyl)-4-oxo-, (.+-.)-
CAS Registry Number 102118-06-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8ClN3O4
InChI InChI=1S/C10H8ClN3O4/c11-5-1-2-7-6(3-5)9(16)14(13-12-7)8(4-15)10(17)18/h1-3,8,15H,4H2,(H,17,18)
InChIKey IGFSVEXPKYOPRU-UHFFFAOYSA-N
Molecular Weight 269.644 g/mol
SMILES OC(C(CO)N1N=Nc2c(C1=O)cc(cc2)Cl)=O
SPLASH splash10-053i-0960000000-dc9dae0a63de1b847c81
Source of Spectrum H-68-897-6
Synonyms 2-(6-Chlor-4-oxo-1,2,3-benzotriazin-3-yl)-3-hydroxypropionsaure 2-(6-Chloro-4-oxo-1,2,3-benzotriazin-3(4H)-yl)-3-hydroxypropanoic acid 2-(6-Chloro-4-oxo-1,2,3-benzotriazin-3-yl)-3-hydroxypropanoic acid 2-(6-Chloro-4-oxo-1,2,3-benzotriazin-3-yl)-3-hydroxy-propanoic acid 2-(6-Chloranyl-4-oxidanylidene-1,2,3-benzotriazin-3-yl)-3-oxidanyl-propanoic acid
Wiley ID 1272954