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(3E,5E)-3,5-dibenzylidene-1,2,3,5,6,7-hexahydrodicyclopenta[b,e]pyridine
SpectraBase Compound ID 8mclSOL4Qhz
InChI InChI=1S/C25H21N/c1-3-7-18(8-4-1)15-20-11-13-22-17-23-14-12-21(25(23)26-24(20)22)16-19-9-5-2-6-10-19/h1-10,15-17H,11-14H2/b20-15+,21-16+
InChIKey XYGJLQRINNJINZ-YJKAXRSRSA-N
Mol Weight 335.45 g/mol
Molecular Formula C25H21N
Exact Mass 335.1674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpHpo3QrgRA
Name (3E,5E)-3,5-dibenzylidene-1,2,3,5,6,7-hexahydrodicyclopenta[b,e]pyridine
Alternate Name(s) (3E,5E)-3,5-bis(phenylmethylene)-1,2,6,7-tetrahydrodicyclopenta[3,1-b:3',1'-f]pyridine (3E,5E)-3,5-dibenzylidene-1,2,6,7-tetrahydrodicyclopenta[3,1-b:3',1'-f]pyridine (3E,5E)-3,5-bis(phenylmethylidene)-1,2,6,7-tetrahydrodicyclopenta[3,1-b:3',1'-f]pyridine
CAS Registry Number 96413-25-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21N
InChI InChI=1S/C25H21N/c1-3-7-18(8-4-1)15-20-11-13-22-17-23-14-12-21(25(23)26-24(20)22)16-19-9-5-2-6-10-19/h1-10,15-17H,11-14H2/b20-15+,21-16+
InChIKey XYGJLQRINNJINZ-YJKAXRSRSA-N
Molecular Weight 335.450 g/mol
SMILES c12nc3c(cc1CC\C2=C\c1ccccc1)CC\C3=C\c1ccccc1
SPLASH splash10-001r-0009000000-648290d5d94778cebdc3
Source of Spectrum J-50-2411-8
Wiley ID 1331917