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1,2,3-Benzotriazine-3(4H)-acetic acid, 6-chloro-4-oxo-, methyl ester
SpectraBase Compound ID 3cOl8bro5uU
InChI InChI=1S/C10H8ClN3O3/c1-17-9(15)5-14-10(16)7-4-6(11)2-3-8(7)12-13-14/h2-4H,5H2,1H3
InChIKey JHRVUTPLWIXMJB-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 AasYcTgh5F5
Name 1,2,3-Benzotriazine-3(4H)-acetic acid, 6-chloro-4-oxo-, methyl ester
Alternate Name(s) (6-chlo-4-oxo-1,2,3-benzotriazin-3-yl)acetic acid, methylester Methyl (6-chloro-4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetate 2-(6-Chloro-4-oxo-1,2,3-benzotriazin-3-yl)acetic acid methyl ester Methyl 2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)acetate Methyl 2-(6-chloranyl-4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoate
CAS Registry Number 102117-94-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8ClN3O3
InChI InChI=1S/C10H8ClN3O3/c1-17-9(15)5-14-10(16)7-4-6(11)2-3-8(7)12-13-14/h2-4H,5H2,1H3
InChIKey JHRVUTPLWIXMJB-UHFFFAOYSA-N
Molecular Weight 253.645 g/mol
SMILES c12N=NN(C(c2cc(cc1)Cl)=O)CC(=O)OC
SPLASH splash10-0wmu-0920000000-90cbb40f9384780105c9
Source of Spectrum H-68-896-4
Wiley ID 1256535