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4,6,7-triazabicyclo[3.2.2]nona-2,8-diene-4,6,7-tricarboxylic acid triethyl ester
SpectraBase Compound ID 2NAnCm335OY
InChI InChI=1S/C15H21N3O6/c1-4-22-13(19)16-10-9-11-7-8-12(16)18(15(21)24-6-3)17(11)14(20)23-5-2/h7-12H,4-6H2,1-3H3/t11-,12+/m1/s1
InChIKey MNFDMUZKWCENSE-NEPJUHHUSA-N
Mol Weight 339.35 g/mol
Molecular Formula C15H21N3O6
Exact Mass 339.143035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62fbZjppVoW
Name 4,6,7-triazabicyclo[3.2.2]nona-2,8-diene-4,6,7-tricarboxylic acid triethyl ester
CAS Registry Number 65034-90-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21N3O6
InChI InChI=1S/C15H21N3O6/c1-4-22-13(19)16-10-9-11-7-8-12(16)18(15(21)24-6-3)17(11)14(20)23-5-2/h7-12H,4-6H2,1-3H3/t11-,12+/m1/s1
InChIKey MNFDMUZKWCENSE-NEPJUHHUSA-N
Molecular Weight 339.348 g/mol
SMILES [C@@]12(N(N([C@@](C=CN2C(=O)OCC)(C=C1)[H])C(=O)OCC)C(=O)OCC)[H]
SPLASH splash10-00ko-9607000000-9cefc3f8b4cdc4726a34
Source of Spectrum KC-1977-16-1826
Synonyms Triethyl 4,6,7-triazabicyclo[3.2.2]nona-2,8-diene-4,6,7-tricarboxylate
Wiley ID 1334350