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2,7-bis[2'-Cyano-2-(methoxycarbonyl)ethyl]-4,5,9,10-tetrahydropyrene
SpectraBase Compound ID L1juhnMloFx
InChI InChI=1S/C26H24N2O4/c1-31-25(29)21(13-27)11-15-7-17-3-5-19-9-16(12-22(14-28)26(30)32-2)10-20-6-4-18(8-15)23(17)24(19)20/h7-10,21-22H,3-6,11-12H2,1-2H3
InChIKey AOYYCCKZPAUJGY-UHFFFAOYSA-N
Mol Weight 428.49 g/mol
Molecular Formula C26H24N2O4
Exact Mass 428.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKWllMNlvbI
Name 2,7-bis[2'-Cyano-2-(methoxycarbonyl)ethyl]-4,5,9,10-tetrahydropyrene
Alternate Name(s) Methyl 2-cyano-3-[7-(2-cyano-3-methoxy-3-oxopropyl)-4,5,9,10-tetrahydro-2-pyrenyl]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24N2O4
InChI InChI=1S/C26H24N2O4/c1-31-25(29)21(13-27)11-15-7-17-3-5-19-9-16(12-22(14-28)26(30)32-2)10-20-6-4-18(8-15)23(17)24(19)20/h7-10,21-22H,3-6,11-12H2,1-2H3
InChIKey AOYYCCKZPAUJGY-UHFFFAOYSA-N
Molecular Weight 428.488 g/mol
SMILES c12-c3c4cc(cc3CCc1cc(CC(C(=O)OC)C#N)cc2CC4)CC(C(=O)OC)C#N
SPLASH splash10-003r-0049700000-1e6f568c0369dc5a1c10
Source of Spectrum U-1997-1554-0
Wiley ID 769957