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2-(2,5-Dimethylphenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate
SpectraBase Compound ID FrhaKIsxoy2
InChI InChI=1S/C13H13N3O4/c1-7-3-4-8(2)9(5-7)10(17)6-19-13(18)11-12(14)16-20-15-11/h3-5H,6H2,1-2H3,(H2,14,16)
InChIKey OWVVECXMXUZLIN-UHFFFAOYSA-N
Mol Weight 275.26 g/mol
Molecular Formula C13H13N3O4
Exact Mass 275.090606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HC1tDwyRgp3
Name 2-(2,5-Dimethylphenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate
CAS Registry Number 296244-74-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O4
InChI InChI=1S/C13H13N3O4/c1-7-3-4-8(2)9(5-7)10(17)6-19-13(18)11-12(14)16-20-15-11/h3-5H,6H2,1-2H3,(H2,14,16)
InChIKey OWVVECXMXUZLIN-UHFFFAOYSA-N
Molecular Weight 275.264 g/mol
SMILES Nc1c(non1)C(OCC(c1c(ccc(c1)C)C)=O)=O
SPLASH splash10-001i-2900000000-626b812d45ff4d248a27
Source of Spectrum AD-0-2532-0
Synonyms Furazan-3-carboxylic acid, 4-amino-, 2-(2,5-dimethylphenyl)-2-oxoethyl ester 4-Amino-1,2,5-oxadiazole-3-carboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester [2-(2,5-dimethylphenyl)-2-oxoethyl] 4-amino-1,2,5-oxadiazole-3-carboxylate [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 4-amino-1,2,5-oxadiazole-3-carboxylate [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-azanyl-1,2,5-oxadiazole-3-carboxylate
Wiley ID 1426266