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Sydnone, 3-(.alpha.-carboxy-p-tolyl)-
SpectraBase Compound ID Gez97luMJj4
InChI InChI=1S/C10H8N2O4/c13-9(14)5-7-1-3-8(4-2-7)12-6-10(15)16-11-12/h1-4,6H,5H2,(H-,11,13,14,15)
InChIKey BTKXUXUDNOMZDF-UHFFFAOYSA-N
Mol Weight 220.18 g/mol
Molecular Formula C10H8N2O4
Exact Mass 220.048407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38lYcNdr6fw
Name Sydnone, 3-(.alpha.-carboxy-p-tolyl)-
CAS Registry Number 20600-67-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8N2O4
InChI InChI=1S/C10H8N2O4/c13-9(14)5-7-1-3-8(4-2-7)12-6-10(15)16-11-12/h1-4,6H,5H2,(H-,11,13,14,15)
InChIKey BTKXUXUDNOMZDF-UHFFFAOYSA-N
Molecular Weight 220.184 g/mol
SMILES OC(=O)Cc1ccc(cc1)-[n+]1noc(c1)[O-]
SPLASH splash10-03g0-8900000000-c4a63bd6fe59a85706fe
Source of Spectrum JX-2015-6-9926
Synonyms 3-(p-carboxymethylphenyl)sydnone 3-[4-(carboxymethyl)phenyl]-1,2,3-oxadiazol-3-ium-5-olate 3-[4-(carboxymethyl)phenyl]-5-oxadiazol-3-iumolate 3-[4-(2-hydroxy-2-oxoethyl)phenyl]-1,2,3-oxadiazol-3-ium-5-olate 3-(4-(carboxymethyl)phenyl)-1,2,3-oxadiazol-3-ium-5-olate
Wiley ID 1730476