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1,2,3-Benzotriazine-3(4H)-acetic acid, 6-chloro-4-oxo-
SpectraBase Compound ID 4ayat3TyyhE
InChI InChI=1S/C9H6ClN3O3/c10-5-1-2-7-6(3-5)9(16)13(12-11-7)4-8(14)15/h1-3H,4H2,(H,14,15)
InChIKey WZNQDQCCAOSQLM-UHFFFAOYSA-N
Mol Weight 239.62 g/mol
Molecular Formula C9H6ClN3O3
Exact Mass 239.009769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dstb0Mpyyyh
Name 1,2,3-Benzotriazine-3(4H)-acetic acid, 6-chloro-4-oxo-
CAS Registry Number 97609-02-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6ClN3O3
InChI InChI=1S/C9H6ClN3O3/c10-5-1-2-7-6(3-5)9(16)13(12-11-7)4-8(14)15/h1-3H,4H2,(H,14,15)
InChIKey WZNQDQCCAOSQLM-UHFFFAOYSA-N
Molecular Weight 239.618 g/mol
SMILES OC(CN1N=Nc2c(C1=O)cc(cc2)Cl)=O
SPLASH splash10-029i-0910000000-d9e6c800ae1eca60a056
Source of Spectrum O-20-187-7
Synonyms (6-chlo-4-oxo-1,2,3-benzotriazin-3-yl)essigsaure (6-chloro-4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetic acid 6-Chloro-3,4-dihydro-1,2,3-benzotriazin-4-on-3-yl-acetic acid 2-(6-Chloro-4-oxo-1,2,3-benzotriazin-3-yl)acetic acid 2-(6-Chloranyl-4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoic acid
Wiley ID 1241667