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Tetramethyl 5,16-diisopropyl-5,16-diazatricyclo[38.2.2.2(9,12)]hexaconsa-2,7,9,11,13,18,20,22,23,25-decaene-3,7,14,18-tetracarboxylate

View entire compound with spectra: 1 MS (GC)

Tetramethyl 5,16-diisopropyl-5,16-diazatricyclo[38.2.2.2(9,12)]hexaconsa-2,7,9,11,13,18,20,22,23,25-decaene-3,7,14,18-tetracarboxylate
SpectraBase Compound ID ADjD96lFDLP
InChI InChI=1S/C38H46N2O8/c1-25(2)39-21-31(35(41)45-5)17-27-9-13-29(14-10-27)19-33(37(43)47-7)23-40(26(3)4)24-34(38(44)48-8)20-30-15-11-28(12-16-30)18-32(22-39)36(42)46-6/h9-20,25-26H,21-24H2,1-8H3/b31-17+,32-18+,33-19+,34-20+
InChIKey KGEPZLGEMPIWHZ-CXQIPAPZSA-N
Mol Weight 658.8 g/mol
Molecular Formula C38H46N2O8
Exact Mass 658.325416 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Guufb4w4oJm
Name Tetramethyl 5,16-diisopropyl-5,16-diazatricyclo[38.2.2.2(9,12)]hexaconsa-2,7,9,11,13,18,20,22,23,25-decaene-3,7,14,18-tetracarboxylate
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Formula C38H46N2O8
InChI InChI=1S/C38H46N2O8/c1-25(2)39-21-31(35(41)45-5)17-27-9-13-29(14-10-27)19-33(37(43)47-7)23-40(26(3)4)24-34(38(44)48-8)20-30-15-11-28(12-16-30)18-32(22-39)36(42)46-6/h9-20,25-26H,21-24H2,1-8H3/b31-17+,32-18+,33-19+,34-20+
InChIKey KGEPZLGEMPIWHZ-CXQIPAPZSA-N
Molecular Weight 658.792 g/mol
SMILES C1\C(=C/c2ccc(\C=C/(CN(C\C(=C/c3ccc(\C=C/(CN1C(C)C)C(=O)OC)cc3)C(=O)OC)C(C)C)C(=O)OC)cc2)C(=O)OC
SPLASH splash10-0mmu-0225009000-44dd0a11f169cd817a50
Source of Spectrum F-50-7824-7
Synonyms Tetramethyl 5,16-diisopropyl-5,16-diazatricyclo[18.2.2.2(9,12)]hexacosa-1(22),2,7,9,11,13,18,20,23,25-decaene-3,7,14,18-tetracarboxylate
Wiley ID 1413481