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10,11-(4',5'-Phthaloyl-4',5'-diazacyclohexano)[3.2]paracyclophan-10-ene
SpectraBase Compound ID 4DgguEUxP4o
InChI InChI=1S/C27H22N2O2/c30-26-22-6-1-2-7-23(22)27(31)29-17-25-21-14-10-19(11-15-21)5-3-4-18-8-12-20(13-9-18)24(25)16-28(26)29/h1-2,6-15H,3-5,16-17H2
InChIKey PJHMULXOUYBGON-UHFFFAOYSA-N
Mol Weight 406.49 g/mol
Molecular Formula C27H22N2O2
Exact Mass 406.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KO151TZINpG
Name 10,11-(4',5'-PHTHALOYL-4',5'-DIAZACYCLOHEXANO)[3.2]PARACYCLOPHAN-10-ENE
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Formula C27H22N2O2
InChI InChI=1S/C27H22N2O2/c30-26-22-6-1-2-7-23(22)27(31)29-17-25-21-14-10-19(11-15-21)5-3-4-18-8-12-20(13-9-18)24(25)16-28(26)29/h1-2,6-15H,3-5,16-17H2
InChIKey PJHMULXOUYBGON-UHFFFAOYSA-N
Instrument Name MAT 311
Molecular Weight 406.1676
SMILES c1ccc2C(=O)N3N(CC=4c5ccc(CCCc6ccc(cc6)C4C3)cc5)C(=O)c2c1
SPLASH splash10-0a4i-4950300000-5b65885ea1a49b222456
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany