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cis-1,3,5,7-Tetracarboxyethyl-1,3,5,7-tetraazadecalin
SpectraBase Compound ID KjtSNN90YgF
InChI InChI=1S/C18H30N4O8/c1-5-27-15(23)19-9-13-14(21(11-19)17(25)29-7-3)10-20(16(24)28-6-2)12-22(13)18(26)30-8-4/h13-14H,5-12H2,1-4H3/t13-,14-/m1/s1
InChIKey KGGMIDCZQWLRHZ-ZIAGYGMSSA-N
Mol Weight 430.46 g/mol
Molecular Formula C18H30N4O8
Exact Mass 430.206364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIzw2SkjTpP
Name cis-1,3,5,7-Tetracarboxyethyl-1,3,5,7-tetraazadecalin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30N4O8
InChI InChI=1S/C18H30N4O8/c1-5-27-15(23)19-9-13-14(21(11-19)17(25)29-7-3)10-20(16(24)28-6-2)12-22(13)18(26)30-8-4/h13-14H,5-12H2,1-4H3/t13-,14-/m1/s1
InChIKey KGGMIDCZQWLRHZ-ZIAGYGMSSA-N
Molecular Weight 430.458 g/mol
SMILES [C@]12(N(CN(C[C@]2(N(C(=O)OCC)CN(C1)C(=O)OCC)[H])C(=O)OCC)C(=O)OCC)[H]
SPLASH splash10-056r-0089200000-316f0ece75142d095d4a
Source of Spectrum J-63-8859-11
Synonyms 3-((4aR,8aR)-1,5,7-tris(2-carboxyethyl)hexahydropyrimido[5,4-d]pyrimidin-3(2H)-yl)propanoic acid Tetraethyl cis-1,3,5,7-tetracarboxylate-1,3,5,7-tetraazadecalin Tetraethyl (4aR,8aR)-2,4,4a,6,8,8a-hexahydropyrimido[5,4-d]pyrimidine-1,3,5,7-tetracarboxylate
Wiley ID 1381382