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Diethyl 2,5-Debenzylperhydro-1,2,4,5-tetrazine-1,4-dicarboxylate
SpectraBase Compound ID Auks36tjHLM
InChI InChI=1S/C22H28N4O4/c1-3-29-21(27)25-17-24(16-20-13-9-6-10-14-20)26(22(28)30-4-2)18-23(25)15-19-11-7-5-8-12-19/h5-14H,3-4,15-18H2,1-2H3
InChIKey MDFPCNHQFQZQPL-UHFFFAOYSA-N
Mol Weight 412.49 g/mol
Molecular Formula C22H28N4O4
Exact Mass 412.211055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9JJH95MSm7p
Name Diethyl 2,5-Debenzylperhydro-1,2,4,5-tetrazine-1,4-dicarboxylate
Alternate Name(s) Diethyl 2,5-dibenzyltetrahydro-1,2,4,5-tetraazine-1,4-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N4O4
InChI InChI=1S/C22H28N4O4/c1-3-29-21(27)25-17-24(16-20-13-9-6-10-14-20)26(22(28)30-4-2)18-23(25)15-19-11-7-5-8-12-19/h5-14H,3-4,15-18H2,1-2H3
InChIKey MDFPCNHQFQZQPL-UHFFFAOYSA-N
Molecular Weight 412.490 g/mol
SMILES C1N(N(CN(N1C(=O)OCC)Cc1ccccc1)C(=O)OCC)Cc1ccccc1
SPLASH splash10-0006-9050000000-23b26c8fb0842c845b5f
Source of Spectrum AJ-62-3949-7
Wiley ID 1374421