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1,2,3-Benzotriazine-3(4H)-butanoic acid, 6,8-dichloro-4-oxo-
SpectraBase Compound ID DVuh3JY4YuQ
InChI InChI=1S/C11H9Cl2N3O3/c12-6-4-7-10(8(13)5-6)14-15-16(11(7)19)3-1-2-9(17)18/h4-5H,1-3H2,(H,17,18)
InChIKey XJCIJISCYFZADK-UHFFFAOYSA-N
Mol Weight 302.12 g/mol
Molecular Formula C11H9Cl2N3O3
Exact Mass 301.002097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B35k4iczDW4
Name 1,2,3-Benzotriazine-3(4H)-butanoic acid, 6,8-dichloro-4-oxo-
CAS Registry Number 102118-10-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9Cl2N3O3
InChI InChI=1S/C11H9Cl2N3O3/c12-6-4-7-10(8(13)5-6)14-15-16(11(7)19)3-1-2-9(17)18/h4-5H,1-3H2,(H,17,18)
InChIKey XJCIJISCYFZADK-UHFFFAOYSA-N
Molecular Weight 302.117 g/mol
SMILES OC(CCCN1C(c2c(N=N1)c(Cl)cc(c2)Cl)=O)=O
SPLASH splash10-0wbl-0790000000-0f3ca0d6771fa10f23a9
Source of Spectrum H-68-897-6
Synonyms 4-(6,8-Dichlor-4-oxo-1,2,3-benzotriazin-3-yl)buttersaure 4-(6,8-dichloro-4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoic acid
Wiley ID 1303567