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7-Ammonio-5-aza-1-cyano-2, 2,4-trimethyl -4 -heptenenitronate
SpectraBase Compound ID GxOpSwEvvlS
InChI InChI=1S/C10H17N4O2/c1-8(13-5-4-11)6-10(2,3)9(7-12)14(15)16/h4-6,11H2,1-3H3/q-1/p+1/b13-8+
InChIKey XNKMQBJOZZAHDI-MDWZMJQESA-O
Mol Weight 226.28 g/mol
Molecular Formula C10H18N4O2
Exact Mass 226.142976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KC6MNkMykKx
Name 7-Ammonio-5-aza-1-cyano-2, 2,4-trimethyl -4 -heptenenitronate
Alternate Name(s) 7-Ammonio-5-aza-1-cyano-2,2,4-trimethyl-4-heptenenitronate (E)-(4-((2-ammonioethyl)imino)-1-cyano-2,2-dimethylpentylidene)azinate
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Formula C10H18N4O2
InChI InChI=1S/C10H17N4O2/c1-8(13-5-4-11)6-10(2,3)9(7-12)14(15)16/h4-6,11H2,1-3H3/q-1/p+1/b13-8+
InChIKey XNKMQBJOZZAHDI-MDWZMJQESA-O
Molecular Weight 226.280 g/mol
SMILES [NH3+]CC\N=C\(CC(C(=[N+]([O-])[O-])C#N)(C)C)C
SPLASH splash10-0j4u-8960000000-1aefc3045ff792e03768
Source of Spectrum J-70-408-17a
Wiley ID 1741113