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4-(5-keto-2H-oxadiazol-3-ium-3-yl)benzoic acid
SpectraBase Compound ID JtLcckzvuk6
InChI InChI=1S/C9H6N2O4/c12-8-5-11(10-15-8)7-3-1-6(2-4-7)9(13)14/h1-5H,(H-,10,12,13,14)
InChIKey HLNFBKDFNKWLSO-UHFFFAOYSA-N
Mol Weight 206.16 g/mol
Molecular Formula C9H6N2O4
Exact Mass 206.032757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYDUKZfrygK
Name 4-(5-keto-2H-oxadiazol-3-ium-3-yl)benzoic acid
Alternate Name(s) 4-(5-oxidanylidene-2H-1,2,3-oxadiazol-3-ium-3-yl)benzoic acid 4-(5-oxo-2H-oxadiazol-3-ium-3-yl)benzoic acid N-(p-Karboxyphenyl)-sydnon BRN 3679419 NSC 63255
CAS Registry Number 7614-53-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6N2O4
InChI InChI=1S/C9H6N2O4/c12-8-5-11(10-15-8)7-3-1-6(2-4-7)9(13)14/h1-5H,(H-,10,12,13,14)
InChIKey HLNFBKDFNKWLSO-UHFFFAOYSA-N
Molecular Weight 206.157 g/mol
SMILES OC(c1ccc(-[n+]2noc(c2)[O-])cc1)=O
SPLASH splash10-00kb-9800000000-e3ae14a242a7cefa533c
Source of Spectrum O-2-9622-9
Wiley ID 1203909