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Dimethyl(1.alpha.,2.beta.,5.beta.,6.alpha.)-3,4,7,8-tetraazatricyclo[4.3.0.0(2,5)non-7-ene-3,4-dicarboxylate
SpectraBase Compound ID 8wHZaaMI1xL
InChI InChI=1S/C9H12N4O4/c1-16-8(14)12-6-4-3-10-11-5(4)7(6)13(12)9(15)17-2/h4-7H,3H2,1-2H3/t4-,5+,6+,7-/m0/s1
InChIKey NADSIMSOHQAWIB-WNJXEPBRSA-N
Mol Weight 240.22 g/mol
Molecular Formula C9H12N4O4
Exact Mass 240.085855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6Kbtob4gD3
Name Dimethyl(1.alpha.,2.beta.,5.beta.,6.alpha.)-3,4,7,8-tetraazatricyclo[4.3.0.0(2,5)non-7-ene-3,4-dicarboxylate
CAS Registry Number 105367-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N4O4
InChI InChI=1S/C9H12N4O4/c1-16-8(14)12-6-4-3-10-11-5(4)7(6)13(12)9(15)17-2/h4-7H,3H2,1-2H3/t4-,5+,6+,7-/m0/s1
InChIKey NADSIMSOHQAWIB-WNJXEPBRSA-N
Molecular Weight 240.219 g/mol
SMILES C(N1N([C@@]2([C@]1([C@@]1([C@]2(N=NC1)[H])[H])[H])[H])C(=O)OC)(=O)OC
SPLASH splash10-00kf-0590000000-a67fb064190df289dc42
Source of Spectrum K-120-206-10
Synonyms Dimethyl (1R,2R,5R,6R)-3,4,7,8-tetraazatricyclo[4.3.0.0(2,5)]non-7-ene-3,4-dicarboxylate
Wiley ID 1242374