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1,2,3-Benzotriazine-3(4H)-acetic acid, 6,8-dichloro-4-oxo-, methyl ester
SpectraBase Compound ID 4SNCxjtnESG
InChI InChI=1S/C10H7Cl2N3O3/c1-18-8(16)4-15-10(17)6-2-5(11)3-7(12)9(6)13-14-15/h2-3H,4H2,1H3
InChIKey XMXKGZYPWXUADG-UHFFFAOYSA-N
Mol Weight 288.09 g/mol
Molecular Formula C10H7Cl2N3O3
Exact Mass 286.986446 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADxd7uLNIVY
Name 1,2,3-Benzotriazine-3(4H)-acetic acid, 6,8-dichloro-4-oxo-, methyl ester
CAS Registry Number 102117-96-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7Cl2N3O3
InChI InChI=1S/C10H7Cl2N3O3/c1-18-8(16)4-15-10(17)6-2-5(11)3-7(12)9(6)13-14-15/h2-3H,4H2,1H3
InChIKey XMXKGZYPWXUADG-UHFFFAOYSA-N
Molecular Weight 288.090 g/mol
SMILES c12N=NN(C(c2cc(cc1Cl)Cl)=O)CC(=O)OC
SPLASH splash10-002r-0790000000-f79427b8a20d0f412498
Source of Spectrum H-68-896-4
Synonyms (6,8-dichlor-4-oxo-1,2,3-benzotriazin-3-yl)acetic acid, methylester Methyl (6,8-dichloro-4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetate
Wiley ID 1290570