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Benzoic acid, 4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-, methyl ester
SpectraBase Compound ID J4uDRJjoyA6
InChI InChI=1S/C17H12N2O5/c1-21-17(20)11-4-2-10(3-5-11)16-18-15(19-24-16)12-6-7-13-14(8-12)23-9-22-13/h2-8H,9H2,1H3
InChIKey ISLRTEGYOXMDID-UHFFFAOYSA-N
Mol Weight 324.29 g/mol
Molecular Formula C17H12N2O5
Exact Mass 324.074621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JoT2Ie6Rf9Y
Name Benzoic acid, 4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-, methyl ester
Alternate Name(s) Methyl 4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]benzoate
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Formula C17H12N2O5
InChI InChI=1S/C17H12N2O5/c1-21-17(20)11-4-2-10(3-5-11)16-18-15(19-24-16)12-6-7-13-14(8-12)23-9-22-13/h2-8H,9H2,1H3
InChIKey ISLRTEGYOXMDID-UHFFFAOYSA-N
Molecular Weight 324.292 g/mol
SMILES c1c2c(ccc1-c1noc(n1)-c1ccc(cc1)C(OC)=O)OCO2
SPLASH splash10-0h00-9802000000-8238dadc48a349e84f79
Source of Spectrum IY-2-4717-4
Wiley ID 1655157