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3-Carbethoxy-2-(3-methylphenyl)-.delta.(3)-1,2,4-oxadiazolin-5-one
SpectraBase Compound ID 5wMmvo8Phj5
InChI InChI=1S/C12H12N2O4/c1-3-17-11(15)10-13-12(16)18-14(10)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKey BBCANJGRIMDLFP-UHFFFAOYSA-N
Mol Weight 248.24 g/mol
Molecular Formula C12H12N2O4
Exact Mass 248.079707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQ2AaNLM45j
Name 3-Carbethoxy-2-(3-methylphenyl)-.delta.(3)-1,2,4-oxadiazolin-5-one
Comments Less than 3 mono-isotopic peaks
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Formula C12H12N2O4
InChI InChI=1S/C12H12N2O4/c1-3-17-11(15)10-13-12(16)18-14(10)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKey BBCANJGRIMDLFP-UHFFFAOYSA-N
Molecular Weight 248.238 g/mol
SMILES C1(=NC(=O)ON1c1cc(C)ccc1)C(=O)OCC
SPLASH splash10-0a4i-0910000000-070fb02b76adb5036663
Source of Spectrum F-48-6355-26
Synonyms 3-Carbethoxy-2-(3-methylphenyl)-.deata.(3)-1,2,4-oxadiazolin-5-one ethyl 2-(3-methylphenyl)-5-oxo-2,5-dihydro-1,2,4-oxadiazole-3-carboxylate
Wiley ID 1250773