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Diethyl (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-3a,4,7,7a-tetrahydro-2,2-dimethyl-4,7-etheno-1,3-dioxolo[4,5-d]pyridazine-5,6-dicarboxylate

View entire compound with spectra: 1 MS (GC)

Diethyl (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-3a,4,7,7a-tetrahydro-2,2-dimethyl-4,7-etheno-1,3-dioxolo[4,5-d]pyridazine-5,6-dicarboxylate
SpectraBase Compound ID 5rII4dyhIdI
InChI InChI=1S/C15H22N2O6/c1-5-20-13(18)16-9-7-8-10(17(16)14(19)21-6-2)12-11(9)22-15(3,4)23-12/h7-12H,5-6H2,1-4H3/t9-,10+,11+,12-
InChIKey NKNXABIGHHZEKI-IWDIQUIJSA-N
Mol Weight 326.35 g/mol
Molecular Formula C15H22N2O6
Exact Mass 326.147786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fjov3ar5cAu
Name Diethyl (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-3a,4,7,7a-tetrahydro-2,2-dimethyl-4,7-etheno-1,3-dioxolo[4,5-d]pyridazine-5,6-dicarboxylate
Alternate Name(s) (3aR,4S,7R,7aS)-diethyl 2,2-dimethyl-3a,4,7,7a-tetrahydro-4,7-epidiazanobenzo[d][1,3]dioxole-8,9-dicarboxylate
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Formula C15H22N2O6
InChI InChI=1S/C15H22N2O6/c1-5-20-13(18)16-9-7-8-10(17(16)14(19)21-6-2)12-11(9)22-15(3,4)23-12/h7-12H,5-6H2,1-4H3/t9-,10+,11+,12-
InChIKey NKNXABIGHHZEKI-IWDIQUIJSA-N
Molecular Weight 326.349 g/mol
SMILES [C@@]12(N(N([C@@](C=C2)([C@@]2([C@]1(OC(O2)(C)C)[H])[H])[H])C(=O)OCC)C(=O)OCC)[H]
SPLASH splash10-001i-9300000000-7af6b730e0b782878a3c
Source of Spectrum F5-4-3847-46
Wiley ID 1733030