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6,7,8,9,10,11,12,13,20,21,22,23,24,25,28,27-Hexadecahydrodicyclohepta[b,m][1,4,12,15]tetrazacyclodocosine
SpectraBase Compound ID KvBjAiL6bVz
InChI InChI=1S/C28H40N4/c1-3-13-21-29-25-17-9-7-11-19-27(25)31-23-15-5-2-6-16-24-32-28-20-12-8-10-18-26(28)30-22-14-4-1/h7-12,17-20,29,32H,1-6,13-16,21-24H2/b30-26-,31-27-
InChIKey RUJKWYHYWIPGTB-VUGPWPOLSA-N
Mol Weight 432.7 g/mol
Molecular Formula C28H40N4
Exact Mass 432.325297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rSFbUfmts
Name 6,7,8,9,10,11,12,13,20,21,22,23,24,25,28,27-Hexadecahydrodicyclohepta[b,m][1,4,12,15]tetrazacyclodocosine
Alternate Name(s) 6,7,8,9,10,11,12,13,20,21,22,23,24,25,26,27-hexadecahydrodicyclohepta[b,m][1,4,12,15]tetraazacyclodocosine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40N4
InChI InChI=1S/C28H40N4/c1-3-13-21-29-25-17-9-7-11-19-27(25)31-23-15-5-2-6-16-24-32-28-20-12-8-10-18-26(28)30-22-14-4-1/h7-12,17-20,29,32H,1-6,13-16,21-24H2/b30-26-,31-27-
InChIKey RUJKWYHYWIPGTB-VUGPWPOLSA-N
Molecular Weight 432.656 g/mol
SMILES N1C=2\C(=N/CCCCCCCNC=3\C(=N/CCCCCCC1)C=CC=CC3)C=CC=CC2
SPLASH splash10-001i-0604900000-89be03693655f8714edf
Source of Spectrum AJ-66-2944-5
Wiley ID 772268