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1-Propionoxy-5-[3-(4-methylphenyl)sydnon-4-yl]tetrazole
SpectraBase Compound ID CXnfKMJqj7u
InChI InChI=1S/C13H12N6O4/c1-3-10(20)23-19-12(14-15-16-19)11-13(21)22-17-18(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey AMGCWXYWWANRIN-UHFFFAOYSA-N
Mol Weight 316.28 g/mol
Molecular Formula C13H12N6O4
Exact Mass 316.092003 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67ZcCR0po2T
Name 1-Propionoxy-5-[3-(4-methylphenyl)sydnon-4-yl]tetrazole
Alternate Name(s) 4-(1-(propionyloxy)-1H-tetrazol-5-yl)-3-(p-tolyl)-1,2,3-oxadiazol-3-ium-5-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N6O4
InChI InChI=1S/C13H12N6O4/c1-3-10(20)23-19-12(14-15-16-19)11-13(21)22-17-18(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey AMGCWXYWWANRIN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200200056
Molecular Weight 316.277 g/mol
SMILES c1([n+](noc1[O-])-c1ccc(cc1)C)-c1nnn[n]1OC(CC)=O
SPLASH splash10-0a4i-9000000000-a4275b96a81fb06e0bc0
Source of Spectrum QA-49-367-6bb
Wiley ID 1795598