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1-Acetoxy-5-[3-(4'-Ethoxyphenyl)sydnon-4-yl]tetrazole
SpectraBase Compound ID BSPy9Wr96He
InChI InChI=1S/C13H12N6O5/c1-3-22-10-6-4-9(5-7-10)18-11(13(21)23-17-18)12-14-15-16-19(12)24-8(2)20/h4-7H,3H2,1-2H3
InChIKey AFRXSZKQTIIZJU-UHFFFAOYSA-N
Mol Weight 332.28 g/mol
Molecular Formula C13H12N6O5
Exact Mass 332.086918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZTEiAfsTiD
Name 1-Acetoxy-5-[3-(4'-Ethoxyphenyl)sydnon-4-yl]tetrazole
Alternate Name(s) 4-(1-acetoxy-1H-tetrazol-5-yl)-3-(4-ethoxyphenyl)-1,2,3-oxadiazol-3-ium-5-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N6O5
InChI InChI=1S/C13H12N6O5/c1-3-22-10-6-4-9(5-7-10)18-11(13(21)23-17-18)12-14-15-16-19(12)24-8(2)20/h4-7H,3H2,1-2H3
InChIKey AFRXSZKQTIIZJU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200200056
Molecular Weight 332.276 g/mol
SMILES c1([n+](noc1[O-])-c1ccc(cc1)OCC)-c1nnn[n]1OC(C)=O
SPLASH splash10-007o-5090000000-bf00b926e8bb38f33405
Source of Spectrum QA-49-366-6da
Wiley ID 1795601