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2-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID ClgjX7hqw8
InChI InChI=1S/C11H9N5O2/c12-11-13-8(14-15-11)5-16-9(17)6-3-1-2-4-7(6)10(16)18/h1-4H,5H2,(H3,12,13,14,15)
InChIKey XUZOXROUZQICEP-UHFFFAOYSA-N
Mol Weight 243.23 g/mol
Molecular Formula C11H9N5O2
Exact Mass 243.075625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xhzs2rdKK
Name 2-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1H-isoindole-1,3(2H)-dione
Alternate Name(s) 2-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]isoindole-1,3-dione 2-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]isoindoline-1,3-dione 2-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]isoindoline-1,3-quinone 2-[(3-azanyl-1H-1,2,4-triazol-5-yl)methyl]isoindole-1,3-dione Isoindole-1,3-dione, 2-(5-amino-1H-[1,2,4]triazol-3-ylmethyl)-
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Formula C11H9N5O2
InChI InChI=1S/C11H9N5O2/c12-11-13-8(14-15-11)5-16-9(17)6-3-1-2-4-7(6)10(16)18/h1-4H,5H2,(H3,12,13,14,15)
InChIKey XUZOXROUZQICEP-UHFFFAOYSA-N
Molecular Weight 243.226 g/mol
SMILES [nH]1nc(nc1N)CN1C(c2ccccc2C1=O)=O
SPLASH splash10-0f96-9510000000-fb6e973b1c9105b6876a
Source of Spectrum AD-0-2532-0
Wiley ID 1436297