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2H-1,2,3,4-Tetrazole-2-butanoic acid, 5-(1,3-benzodioxol-5-yl)-
SpectraBase Compound ID 303BzPnnDp7
InChI InChI=1S/C12H12N4O4/c17-11(18)2-1-5-16-14-12(13-15-16)8-3-4-9-10(6-8)20-7-19-9/h3-4,6H,1-2,5,7H2,(H,17,18)
InChIKey MTMHIKNJKWOOTB-UHFFFAOYSA-N
Mol Weight 276.25 g/mol
Molecular Formula C12H12N4O4
Exact Mass 276.085855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IUBzFIGzBFe
Name 2H-1,2,3,4-Tetrazole-2-butanoic acid, 5-(1,3-benzodioxol-5-yl)-
Alternate Name(s) 4-[5-(2H-1,3-benzodioxol-5-yl)-2H-1,2,3,4-tetrazol-2-yl]butanoic acid 4-[5-(1,3-benzodioxol-5-yl)-2-tetrazolyl]butanoic acid 4-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]butanoic acid 4-[5-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrazol-2-yl]butanoic acid
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Formula C12H12N4O4
InChI InChI=1S/C12H12N4O4/c17-11(18)2-1-5-16-14-12(13-15-16)8-3-4-9-10(6-8)20-7-19-9/h3-4,6H,1-2,5,7H2,(H,17,18)
InChIKey MTMHIKNJKWOOTB-UHFFFAOYSA-N
Molecular Weight 276.252 g/mol
SMILES OC(CCC[n]1nc(-c2cc3c(cc2)OCO3)nn1)=O
SPLASH splash10-0002-8900000000-80ee28c40c425bf140e0
Source of Spectrum IY-2-5100-3
Wiley ID 1658986